%chk=000048286.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048286

1 1
 O    2.754500       3.521500      0.8654000    
 N   -1.601900      -1.642000     -0.4278000    
 N    2.545100      0.4262000     -0.2592000    
 C  -0.6878000      -2.466800      0.4905000    
 C   1.2000001E-03  -1.553600       1.514700    
 C   -2.683500     -0.9924000      0.3482000    
 C   0.9090000     -0.5177000      0.8823000    
 C   -2.181700      -2.585900      -1.491800    
 C  -0.7359000     -0.5946000      -1.143500    
 C   -3.635800     -0.2440000     -0.5769000    
 C   0.7560000      -2.402600       2.546400    
 C   0.7503000      0.8627000      0.9978000    
 C    1.996700     -0.7949000      0.1205000    
 C   -4.806300      0.4728000      0.1056000    
 C    1.778800       1.434500      0.2800000    
 C   -5.762400       1.148100     -0.8778000    
 C  -0.3064000       1.584800       1.738600    
 C    2.646300      -1.977900     -0.3371000    
 C    3.685000      0.5339000      -1.056400    
 C    2.035700       2.834300      0.1033000    
 C    3.747200      -1.876800      -1.106500    
 C   -6.907800       1.838100     -0.1525000    
 C    4.293300     -0.5839000      -1.485200    
 C    1.410500       3.575900      -1.078800    
 H   -1.326600      -3.205600      0.9904000    
 H   1.9800000E-02  -3.007700     -0.1452000    
 H  -0.7607000      -1.050400       2.114200    
 H   -2.269200     -0.2818000       1.062800    
 H   -3.222500      -1.769100      0.9038000    
 H   -2.662500      -2.014700      -2.289400    
 H   -2.890200      -3.260800      -1.002800    
 H   -1.354800      -3.158600      -1.924300    
 H   -1.247900     -0.3787000      -2.092600    
 H   0.2006000      -1.033900      -1.478400    
 H  -0.7728000      0.3649000     -0.6484000    
 H   -4.095300     -0.9354000      -1.290400    
 H   -3.097700      0.5079000      -1.164500    
 H    1.266300      -1.766900       3.279000    
 H    1.507600      -3.051400       2.088200    
 H   5.9300002E-02  -3.047200       3.094000    
 H   -5.363200     -0.2536000      0.7105000    
 H   -4.406900       1.222200      0.8001000    
 H   -5.217400       1.885900      -1.477800    
 H   -6.171000      0.4035000      -1.570500    
 H   5.8400001E-02   2.555800       2.092000    
 H  -0.6347000       1.040600       2.628400    
 H   -1.175500       1.777400       1.103200    
 H    2.269000      -2.957900     -7.1900003E-02
 H    4.048500       1.523000      -1.307500    
 H    4.257900      -2.764200      -1.464400    
 H   -6.533300       2.610900      0.5263000    
 H   -7.579500       2.315200     -0.8730000    
 H   -7.491400       1.119900      0.4321000    
 H    5.180500     -0.5502000      -2.105600    
 H   0.3211000       3.541900     -0.9940000    
 H    1.735200       4.620200      -1.078300    
 H    1.727700       3.107100      -2.013900    


%chk=000048286-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048286

1 1
O 0.835887 3.911291 0.433411
N -1.743916 -1.900250 -0.603012
N 2.491738 0.701951 -0.378166
C -0.714179 -2.452352 0.434039
C -0.044456 -1.455521 1.419543
C -2.766087 -0.974852 0.108983
C 0.810632 -0.375971 0.780966
C -2.455657 -3.113724 -1.198567
C -1.038404 -1.150450 -1.732178
C -3.975512 -0.531095 -0.729617
C 0.744925 -2.309187 2.460094
C 0.609611 1.031625 0.890360
C 1.987744 -0.585672 0.000532
C -4.852395 0.445782 0.099216
C 1.647954 1.705063 0.168292
C -6.097860 0.928135 -0.680814
C -0.473907 1.727481 1.673879
C 2.685201 -1.746630 -0.442149
C 3.612587 0.806262 -1.198432
C 1.808114 3.166762 0.075841
C 3.822600 -1.630930 -1.243899
C -6.966438 1.902207 0.142726
C 4.279340 -0.330807 -1.630010
C 3.108186 3.820323 -0.387461
H -1.276759 -3.203134 1.018544
H 0.044850 -2.980778 -0.169000
H -0.846967 -0.956657 1.992987
H -2.196186 -0.091655 0.439082
H -3.101385 -1.530879 1.003888
H -3.076712 -2.797350 -2.048166
H -3.087478 -3.578834 -0.426451
H -1.697107 -3.833124 -1.544265
H -1.783864 -0.852595 -2.483531
H -0.295780 -1.821586 -2.190617
H -0.533030 -0.268594 -1.316720
H -4.598886 -1.394397 -1.029179
H -3.653897 -0.013013 -1.653246
H 1.202693 -1.639126 3.206234
H 1.560155 -2.891217 1.996314
H 0.079960 -3.012657 2.994549
H -5.180053 -0.049084 1.036510
H -4.248073 1.326388 0.399431
H -5.774286 1.422576 -1.618885
H -6.706396 0.051041 -0.980417
H -0.048692 2.528578 2.301552
H -1.021966 1.029020 2.331595
H -1.191103 2.247168 1.012092
H 2.336010 -2.733063 -0.125677
H 3.931743 1.804982 -1.483309
H 4.364678 -2.521980 -1.572216
H -6.396533 2.806670 0.425028
H -7.849624 2.229456 -0.433173
H -7.329788 1.427091 1.072778
H 5.159582 -0.211396 -2.265965
H 3.073783 4.877494 -0.081707
H 4.005891 3.348775 0.051454
H 3.198412 3.800439 -1.491189


