%chk=000013307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013307

0 1
 O  -8.2400002E-02  0.9634000      -1.800300    
 O    2.056400      -1.793300       1.284000    
 O   -2.279200      -2.744800      0.2156000    
 N    1.020600     -0.3492000     -0.2299000    
 N  -0.1074000      -2.217200      0.7152000    
 C    2.231000      0.4563000     -0.3794000    
 C    2.599200       1.097200      0.9633000    
 C    3.375100     -0.4157000     -0.9079000    
 C    3.903800       1.886100      0.8643000    
 C    4.678500      0.3755000      -1.005000    
 C    5.043100       1.024700      0.3270000    
 C  -9.9299997E-02  2.5500000E-02 -0.9971000    
 C   -1.372700     -0.7682000     -0.7925000    
 C    1.058900      -1.465600      0.6353000    
 C   -1.309700      -1.997900      7.6099999E-02
 C   -2.451600      0.1426000     -0.2923000    
 C   -3.747800      1.2400000E-02 -0.7819000    
 C   -2.151000       1.112800      0.6592000    
 C   -4.752600      0.8603000     -0.3160000    
 C   -3.155900       1.960600       1.125000    
 C   -4.456700       1.834400      0.6373000    
 H    2.064200       1.265200      -1.100600    
 H    2.714300      0.3657000       1.768100    
 H    1.793400       1.770600       1.281600    
 H    3.112900     -0.8004000      -1.901600    
 H    3.577200      -1.294400     -0.2910000    
 H    4.172500       2.280900       1.850700    
 H    3.757600       2.750300      0.2046000    
 H    4.576700       1.151900      -1.773300    
 H    5.489900     -0.2865000      -1.328000    
 H    5.942800       1.638000      0.2043000    
 H    5.285300      0.2438000       1.058400    
 H   -1.631400      -1.132800      -1.797700    
 H  -6.7599997E-02  -3.033300       1.319700    
 H   -3.992000     -0.7430000      -1.523700    
 H   -1.152300       1.222800       1.071900    
 H   -5.765600      0.7617000     -0.6951000    
 H   -2.926800       2.716300       1.870700    
 H   -5.239400       2.493700       1.001000    


%chk=000013307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013307

0 1
O 0.084332 0.377654 -2.225411
O 1.821444 -1.702265 1.605101
O -2.254776 -3.151689 -0.056653
N 0.963859 -0.530830 -0.254256
N -0.238148 -2.345005 0.763961
C 2.205218 0.317566 -0.390030
C 2.416891 1.229172 0.842959
C 3.463592 -0.518236 -0.724608
C 3.624973 2.166594 0.593733
C 4.666444 0.429499 -0.962436
C 4.901413 1.360958 0.251288
C -0.074038 -0.346041 -1.209613
C -1.432059 -0.999074 -0.915897
C 0.908697 -1.513025 0.759653
C -1.367839 -2.263288 -0.063767
C -2.368812 0.044264 -0.269221
C -3.467090 0.539996 -1.011449
C -2.141680 0.526452 1.044788
C -4.331773 1.504167 -0.447364
C -3.007664 1.489480 1.607021
C -4.104851 1.981748 0.863338
H 1.983235 0.959900 -1.262736
H 2.604542 0.608762 1.737323
H 1.501754 1.825217 1.026146
H 3.274610 -1.130429 -1.627258
H 3.689738 -1.203747 0.111614
H 3.795259 2.794611 1.488881
H 3.391938 2.856503 -0.243519
H 4.479120 1.045765 -1.866062
H 5.573304 -0.170762 -1.167185
H 5.741509 2.050944 0.042762
H 5.194431 0.750316 1.129491
H -1.861436 -1.282663 -1.890531
H -0.196823 -3.121386 1.433140
H -3.644991 0.173480 -2.028409
H -1.299430 0.153696 1.639349
H -5.179861 1.879836 -1.029971
H -2.827109 1.853713 2.624374
H -4.775923 2.728545 1.301451


