%chk=000037474.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037474

0 1
 O    1.661000      -1.522000       1.658700    
 N   -2.468200      0.4513000     -0.1547000    
 C  -0.4143000     -0.5802000      0.8135000    
 C    1.080100     -0.9100000      0.4926000    
 C    1.032800      -1.973500     -0.6461000    
 C   -1.088300      7.4800000E-02 -0.4231000    
 C   0.3595000      -1.416100      -1.918600    
 C   -1.009400     -0.7727000      -1.698800    
 C   -1.133500      -1.843200       1.353700    
 C   0.3484000      -3.271700     -0.1581000    
 C   -1.029800      -3.078800      0.4661000    
 C    1.965900      0.3206000      0.2458000    
 C   -3.055000       1.234000      -1.241900    
 C   -2.595800       1.295800       1.032700    
 C   -4.301000       1.826700     -0.6006000    
 C   -3.997700       1.870600      0.8939000    
 C    3.100900      0.2096000     -0.5547000    
 C    1.631200       1.543900      0.8227000    
 C    3.905100       1.326900     -0.7790000    
 C    2.435600       2.661300      0.5983000    
 C    3.572500       2.552700     -0.2026000    
 H  -0.4371000      0.1054000       1.666400    
 H    2.047100      -2.289800     -0.9163000    
 H  -0.5327000      0.9954000     -0.6453000    
 H   0.2702000      -2.207100      -2.673300    
 H    1.020400     -0.6606000      -2.361400    
 H   -1.221900     -0.1546000      -2.580900    
 H   -1.783100      -1.546300      -1.705600    
 H   -2.191100      -1.635600       1.552000    
 H  -0.7037000      -2.093800       2.332800    
 H   0.9976000      -3.749000      0.5877000    
 H   0.2739000      -3.989500     -0.9843000    
 H   -1.791900      -3.040600     -0.3167000    
 H   -1.283800      -3.968100       1.056500    
 H   -3.329100      0.6247000      -2.108700    
 H   -2.392100       2.043700      -1.573300    
 H   -1.863900       2.113900       1.036300    
 H   -2.515900      0.7443000       1.974100    
 H    2.533200      -1.875000       1.411500    
 H   -5.174300       1.189200     -0.7824000    
 H   -4.523100       2.822100     -0.9985000    
 H   -4.054500       2.890000       1.288900    
 H   -4.726800       1.258100       1.437500    
 H    3.406900     -0.7275000      -1.005100    
 H   0.7760000       1.681600       1.472400    
 H    4.793200       1.241900      -1.398500    
 H    2.180500       3.614900       1.051400    
 H    4.199900       3.422200     -0.3754000    


%chk=000037474-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037474

0 1
O 1.589708 -1.505548 1.762162
N -2.485348 0.483986 -0.164203
C -0.413623 -0.568478 0.790343
C 1.069732 -0.920319 0.479044
C 1.057547 -2.006358 -0.638664
C -1.073728 0.107877 -0.451773
C 0.389296 -1.437991 -1.926579
C -1.003385 -0.789054 -1.714692
C -1.164355 -1.819526 1.331723
C 0.384906 -3.301575 -0.103631
C -1.047745 -3.089387 0.448387
C 1.966291 0.304347 0.190420
C -3.174817 1.178070 -1.288667
C -2.664175 1.401415 0.996121
C -4.469073 1.742722 -0.651132
C -4.128689 1.893057 0.869151
C 2.971595 0.300395 -0.811437
C 1.889650 1.439946 1.043728
C 3.851322 1.395957 -0.972123
C 2.761131 2.536975 0.885481
C 3.747872 2.523255 -0.129007
H -0.410120 0.173355 1.610706
H 2.102738 -2.279599 -0.897984
H -0.480997 1.040305 -0.661866
H 0.300671 -2.253689 -2.670956
H 1.060586 -0.680810 -2.375087
H -1.241671 -0.185607 -2.611335
H -1.790529 -1.557994 -1.635586
H -2.230783 -1.555270 1.458778
H -0.746969 -2.042497 2.330261
H 1.022031 -3.701887 0.707136
H 0.371784 -4.059163 -0.912761
H -1.772040 -3.040709 -0.383993
H -1.337549 -3.973399 1.049822
H -3.382055 0.481378 -2.117984
H -2.544897 2.014164 -1.692071
H -1.955547 2.269046 0.939971
H -2.480924 0.877416 1.949841
H 2.577740 -1.552374 1.689285
H -5.306943 1.037965 -0.788959
H -4.758515 2.701458 -1.116119
H -4.234083 2.933128 1.224470
H -4.800550 1.262602 1.476482
H 3.082595 -0.561444 -1.476342
H 1.153190 1.454978 1.853536
H 4.616694 1.365885 -1.756115
H 2.678129 3.399398 1.556830
H 4.427803 3.373496 -0.253009


