%chk=000058368.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058368

0 1
 O   -3.522600       1.880000      0.2554000    
 N    1.604200     -0.2333000     -1.0900000E-02
 C    4.035000     -0.1164000     -0.2921000    
 C    5.404800      2.5100000E-02  0.3793000    
 C    2.872000     -0.1010000      0.6994000    
 C    6.570100      3.6400001E-02 -0.6125000    
 C   0.4854000     -0.2310000      0.9204000    
 C  -0.8344000     -0.3776000      0.1647000    
 C   -2.022500     -0.3988000       1.129800    
 C    7.914200      0.1062000      0.1140000    
 C   -3.335000     -0.5057000      0.3963000    
 C    9.075700      0.1497000     -0.8662000    
 C   -4.022200      0.6397000     -5.9000002E-03
 C   -3.861400      -1.767700      0.1207000    
 C   -5.235700      0.5228000     -0.6840000    
 C   -5.074900      -1.884400     -0.5572000    
 C   -5.762000     -0.7392000     -0.9594000    
 C   -4.290700       2.995300     -0.1918000    
 H    3.910400      0.7004000      -1.014900    
 H    4.014700      -1.051900     -0.8660000    
 H    5.539300     -0.8023000       1.087300    
 H    5.423400      0.9510000      0.9676000    
 H    2.893400      0.8361000       1.268700    
 H    2.995600     -0.9291000       1.407600    
 H    6.534300     -0.8682000      -1.231500    
 H    6.466600      0.8946000      -1.287400    
 H   0.5864000      -1.062100       1.629000    
 H   0.4721000      0.7024000       1.496400    
 H  -0.8230000      -1.301200     -0.4287000    
 H  -0.9477000      0.4519000     -0.5457000    
 H    1.501000      0.5310000     -0.6779000    
 H   -1.923800      -1.244200       1.823500    
 H   -2.017200      0.4977000       1.762300    
 H    7.948000      0.9986000      0.7497000    
 H    8.028700     -0.7644000      0.7702000    
 H    9.008500       1.028600      -1.515400    
 H    10.02620      0.1985000     -0.3258000    
 H    9.089300     -0.7442000      -1.497900    
 H   -3.335300      -2.668200      0.4266000    
 H   -5.825000       1.366100      -1.026900    
 H   -5.484600      -2.866900     -0.7723000    
 H   -6.706900     -0.8315000      -1.487400    
 H   -3.745600       3.899000      0.1001000    
 H   -5.266200       3.039300      0.3047000    
 H   -4.376100       3.015300      -1.283600    


%chk=000058368-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058368

0 1
O -3.294734 1.768266 0.141985
N 1.570351 -0.295236 0.107415
C 4.031649 -0.100252 -0.249924
C 5.420390 0.051873 0.409898
C 2.884029 -0.172412 0.775889
C 6.578482 0.110424 -0.611502
C 0.414314 -0.376790 1.026461
C -0.910973 -0.469091 0.246903
C -2.141320 -0.559232 1.191423
C 7.967247 0.267862 0.049059
C -3.458667 -0.602784 0.437393
C 9.121479 0.316936 -0.975219
C -4.027834 0.588630 -0.104579
C -4.153547 -1.814978 0.226894
C -5.243981 0.558983 -0.827323
C -5.369503 -1.864242 -0.496531
C -5.911129 -0.673109 -1.022309
C -3.857695 3.030435 -0.338387
H 3.858036 0.757539 -0.935127
H 4.003743 -1.013157 -0.876090
H 5.590665 -0.796780 1.105433
H 5.435387 0.971142 1.032628
H 2.941840 0.718558 1.455448
H 3.023034 -1.064961 1.419422
H 6.569831 -0.811361 -1.229964
H 6.409461 0.955155 -1.312178
H 0.540711 -1.283623 1.653107
H 0.361714 0.492707 1.733227
H -0.878234 -1.350721 -0.420250
H -1.025438 0.425156 -0.397448
H 1.436886 0.455096 -0.587028
H -2.048283 -1.466101 1.820396
H -2.126513 0.317847 1.866267
H 7.975377 1.191991 0.662792
H 8.131964 -0.573296 0.753350
H 8.997018 1.166803 -1.672957
H 10.102201 0.429690 -0.477191
H 9.153754 -0.609247 -1.579784
H -3.730005 -2.737618 0.642621
H -5.677026 1.475872 -1.238606
H -5.885336 -2.819174 -0.642483
H -6.852141 -0.693483 -1.583547
H -3.147203 3.805058 -0.013259
H -4.852118 3.225415 0.108841
H -3.941383 3.042612 -1.442865


