%chk=000059525.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059525

1 1
 O   0.5605000     -4.7800001E-02 -0.5012000    
 N    3.237300      0.3633000      0.3268000    
 C  -0.8384000      4.3000001E-02 -0.2729000    
 C   -2.622500      0.5745000       1.425400    
 C   -2.951200       1.210900     -0.9954000    
 C   -3.021000      -1.216200     -0.3075000    
 C   -1.108400      0.4616000       1.183600    
 C   -1.435500       1.094600      -1.225300    
 C   -1.504700      -1.317600     -0.5400000    
 C   -3.210200       1.623800      0.4646000    
 C   -3.280600     -0.7888000       1.148100    
 C   -3.607300     -0.1565000      -1.257400    
 C    1.168600      -1.006500      0.3543000    
 C    2.675400     -0.9945000      0.1188000    
 C   0.5163000      -2.366200      0.1409000    
 C    4.761200      0.3568000      0.1433000    
 C    2.640300       1.359900     -0.6766000    
 C    2.929200      0.8695000       1.742700    
 C    5.090900     -6.3699998E-02  -1.272300    
 H   -2.813100      0.8750000       2.461800    
 H   -3.373000       1.960800      -1.673600    
 H   -3.504200      -2.181700     -0.5026000    
 H  -0.6112000       1.414900       1.403200    
 H  -0.7356000     -0.2546000       1.921000    
 H   -1.224500      0.8225000      -2.267500    
 H  -0.9481000       2.065500      -1.067800    
 H   -1.428300      -2.121200      0.1674000    
 H   -1.334700      -1.656900      -1.569700    
 H   -4.288300       1.727700      0.6382000    
 H   -2.759700       2.604500      0.6613000    
 H   -2.890800      -1.542400       1.843500    
 H   -4.360700     -0.7235000       1.329100    
 H   -4.692300     -8.4200002E-02  -1.113300    
 H   -3.443700     -0.4565000      -2.299800    
 H    1.034400     -0.7609000       1.407800    
 H    2.862500      -1.298800     -0.9158000    
 H    3.189700      -1.689100      0.7938000    
 H   0.2453000      -2.651700     -0.8785000    
 H  -6.5300003E-02  -2.713800       1.005100    
 H    1.345500      -3.086100      0.2782000    
 H    5.134200       1.365900      0.3521000    
 H    5.182300     -0.3394000      0.8772000    
 H    1.732100       1.812300     -0.2691000    
 H    3.353300       2.183500     -0.8007000    
 H    2.476400      0.8755000      -1.643600    
 H    3.243000      0.1035000       2.457900    
 H    3.498900       1.790400       1.904100    
 H    1.865700       1.095400       1.842100    
 H    6.175800      1.6700000E-02  -1.411900    
 H    4.846500      -1.109600      -1.475700    
 H    4.640900      0.5656000      -2.043500    


%chk=000059525-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059525

1 1
O 0.465059 -0.311120 -0.309553
N 3.251515 0.546539 -0.084237
C -1.022803 -0.150125 -0.045901
C -2.901779 0.186926 1.606071
C -2.880976 1.498459 -0.562461
C -3.343706 -0.991900 -0.598608
C -1.373135 -0.092264 1.459263
C -1.360604 1.207221 -0.706896
C -1.819477 -1.276054 -0.749832
C -3.247572 1.548350 0.945589
C -3.703683 -0.947697 0.911612
C -3.687142 0.369505 -1.258969
C 1.303315 -1.105870 0.591965
C 2.758829 -0.911522 0.108156
C 1.019223 -2.624654 0.580541
C 4.804733 0.581553 0.005011
C 2.793496 1.089878 -1.440718
C 2.706589 1.453840 1.015401
C 5.543756 -0.331933 -0.978364
H -3.153139 0.217833 2.683273
H -3.108562 2.471255 -1.037616
H -3.909853 -1.802663 -1.094597
H -0.797621 0.715072 1.957903
H -1.130108 -1.047430 1.964876
H -1.074092 1.174446 -1.776176
H -0.770813 2.011505 -0.221649
H -1.583958 -2.261759 -0.308512
H -1.533602 -1.309043 -1.818289
H -4.327123 1.759502 1.065584
H -2.698386 2.370052 1.447498
H -3.480673 -1.923343 1.387880
H -4.788389 -0.767657 1.037042
H -4.771769 0.570794 -1.170262
H -3.449863 0.339919 -2.340853
H 1.200766 -0.732575 1.632946
H 2.891711 -1.410408 -0.865828
H 3.438890 -1.376294 0.843393
H 0.978029 -3.005606 -0.454546
H 0.059451 -2.849854 1.070809
H 1.803904 -3.177203 1.131593
H 5.087089 1.636952 -0.156479
H 5.050628 0.315112 1.048361
H 1.698647 1.007550 -1.473478
H 3.130060 2.134905 -1.531077
H 3.236352 0.480373 -2.241235
H 2.978836 1.040367 1.998839
H 3.153054 2.453411 0.897601
H 1.614581 1.511481 0.907463
H 6.626051 -0.217239 -0.791300
H 5.305402 -1.398882 -0.837942
H 5.371763 -0.060306 -2.032694


