%chk=000173974.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173974

1 1
 O    5.022500      -1.893300      0.4067000    
 N   -2.114400     -4.0899999E-02  0.2576000    
 C   0.8613000      0.7735000       1.016500    
 C  -9.5500000E-02   1.388700     -2.0000001E-03
 C  -0.8241000      0.1111000     -0.4541000    
 C  -0.1216000      8.2699999E-02   2.097600    
 C   -1.709100      0.2030000       1.812900    
 C    1.680400       1.911600       1.670600    
 C   0.5797000       2.281400      -1.056400    
 C  -0.1638000     -0.5599000      -1.627700    
 C    1.744500     -0.2637000      0.1919000    
 C    2.368800       2.823700      0.6488000    
 C    1.288300     -0.8204000      -1.083100    
 C    1.381000       3.389000     -0.3711000    
 C   -3.156100      0.9583000     -0.2150000    
 C   -2.710100      -1.444100      0.1060000    
 C    2.995800     -0.6635000      0.6755000    
 C    2.120500      -1.672300      -1.815500    
 C   -3.547200      0.7570000      -1.642000    
 C   -3.934200      -1.647300      0.9366000    
 C    3.800900      -1.525700     -7.4699998E-02
 C    3.373500      -2.015300      -1.311600    
 C   -4.789100      0.4611000      -2.040800    
 C   -4.051900      -2.594900       1.873100    
 H  -0.7644000       2.079700      0.5249000    
 H  -0.4697000     -0.7281000      0.1454000    
 H   5.7300001E-02  0.5168000       3.089100    
 H   0.1292000     -0.9824000       2.193500    
 H   -2.252900     -0.5053000       2.439800    
 H   -2.047700       1.215400       2.060100    
 H    2.422700       1.518000       2.372900    
 H    1.005900       2.536300       2.272800    
 H  -0.1866000       2.727500      -1.701200    
 H    1.258500       1.733400      -1.715700    
 H  -0.1320000      6.8999998E-02  -2.521700    
 H  -0.6344000      -1.516500      -1.880900    
 H    3.159800       2.274500      0.1256000    
 H    2.858900       3.651200       1.175000    
 H   0.6926000       4.078300      0.1337000    
 H    1.920700       3.974700      -1.123900    
 H   -4.008600      0.9259000      0.4713000    
 H   -2.736200       1.964200     -0.1136000    
 H   -2.920700      -1.626500     -0.9527000    
 H   -1.932300      -2.159300      0.4040000    
 H    3.363600     -0.3086000       1.633400    
 H    1.790100      -2.087500      -2.763400    
 H   -2.779800      0.8820000      -2.401200    
 H   -4.815700      -1.047800      0.7316000    
 H    4.007700      -2.684500      -1.887900    
 H   -5.012200      0.3378000      -3.094900    
 H   -5.600000      0.3388000      -1.331600    
 H   -4.981300      -2.716000       2.418900    
 H   -3.230800      -3.261000       2.113500    
 H    5.447900      -2.489600     -0.2331000    


%chk=000173974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173974

1 1
O 5.061556 -1.853729 0.513018
N -2.154558 -0.064473 0.273779
C 0.875966 0.758414 1.025369
C -0.099079 1.348025 -0.016393
C -0.766910 -0.005555 -0.404227
C -0.141948 0.075674 2.086325
C -1.692939 0.239707 1.788158
C 1.731747 1.871863 1.679801
C 0.561183 2.245741 -1.085561
C -0.142411 -0.541785 -1.693207
C 1.732225 -0.275453 0.177984
C 2.396120 2.787772 0.621678
C 1.307916 -0.775308 -1.126080
C 1.354791 3.370049 -0.366638
C -3.189912 0.966791 -0.212265
C -2.719954 -1.508783 0.156663
C 2.992159 -0.678756 0.663258
C 2.182416 -1.606444 -1.857919
C -3.601886 0.733818 -1.646594
C -4.007312 -1.741695 0.907252
C 3.843281 -1.525066 -0.086691
C 3.449448 -1.981840 -1.364748
C -4.890562 0.612934 -2.048117
C -4.107661 -2.575024 1.973293
H -0.807510 2.013061 0.510467
H -0.341968 -0.772425 0.258273
H -0.004798 0.558021 3.074434
H 0.105880 -0.991414 2.235734
H -2.282889 -0.442699 2.422517
H -2.026414 1.268203 1.997103
H 2.491689 1.452961 2.364520
H 1.056526 2.489462 2.308788
H -0.208275 2.685962 -1.750171
H 1.260719 1.677926 -1.722757
H -0.161918 0.158434 -2.545630
H -0.555323 -1.511521 -2.027297
H 3.160518 2.217894 0.059635
H 2.927108 3.611057 1.133990
H 0.654675 4.033102 0.183146
H 1.862061 4.001094 -1.118981
H -4.050230 0.923453 0.475405
H -2.712866 1.956503 -0.102711
H -2.860233 -1.679542 -0.925144
H -1.920259 -2.175090 0.523234
H 3.362178 -0.334644 1.633526
H 1.863436 -1.984222 -2.836347
H -2.795356 0.736641 -2.393404
H -4.912321 -1.268730 0.504807
H 4.105020 -2.627802 -1.960743
H -5.148858 0.512738 -3.107196
H -5.729108 0.637547 -1.340604
H -5.072225 -2.770848 2.452941
H -3.240117 -3.108194 2.383189
H 5.616882 -2.433604 -0.065359


