%chk=000129454.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129454

0 1
 O    6.214100      0.4820000     -0.7733000    
 N   -3.106200       1.549600      0.5886000    
 N  -0.8705000      -1.630000      -1.156600    
 C   -4.541800       1.392700      0.8198000    
 C   -2.946300       1.486700     -0.8638000    
 C   -5.158300       2.264600     -0.2640000    
 C   -4.111200       2.323600      -1.371900    
 C   -2.318500      0.5389000       1.278600    
 C  -0.8479000      0.7261000       1.022200    
 C   2.2800000E-02 -0.1589000      0.4876000    
 C    1.430700      0.2829000      0.3085000    
 C  -0.4287000      -1.515200      0.1041000    
 C    1.793900      0.8827000     -0.8790000    
 C    2.328500      7.8000002E-02   1.335400    
 C    4.043300       1.101200     -2.4499999E-02
 C    3.115300       1.296500      -1.047500    
 C    3.649900      0.4919000       1.167000    
 C  -0.3666000      -2.525000       1.032000    
 C    5.456100       1.543200     -0.2053000    
 C  -0.8019000      -3.781700      0.6265000    
 C   -1.285200      -2.866000      -1.514700    
 C   -1.271500      -3.963900     -0.6696000    
 H   -4.837900       1.723600       1.820200    
 H   -4.865600      0.3526000      0.6854000    
 H   -3.042500      0.4605000      -1.241200    
 H   -1.993000       1.900000      -1.208600    
 H   -5.355100       3.274800      0.1139000    
 H   -6.105600       1.849800     -0.6228000    
 H   -4.500800       1.936000      -2.318700    
 H   -3.802900       3.362900      -1.535300    
 H   -2.655800     -0.4688000       1.010600    
 H   -2.474300      0.6404000       2.360000    
 H  -0.4698000       1.709400       1.307800    
 H    1.079300       1.039100      -1.682200    
 H    2.033300     -0.3953000       2.267600    
 H    3.409900       1.768200      -1.981300    
 H    4.363800      0.3324000       1.970700    
 H   9.9999997E-05  -2.372100       2.041000    
 H    5.514500       2.413900     -0.8677000    
 H    5.905700       1.825900      0.7529000    
 H  -0.7757000      -4.617500       1.319300    
 H   -1.642500      -2.955000      -2.535300    
 H   -1.616100      -4.934500      -1.007300    
 H    7.125200      0.8059000     -0.8757000    


%chk=000129454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129454

0 1
O 6.456888 0.615771 0.439520
N -3.178649 1.474805 0.705781
N -0.107770 -2.013405 -1.493553
C -4.607201 1.391376 1.108568
C -3.207240 1.791707 -0.746816
C -5.288104 2.551383 0.328439
C -4.296750 2.885836 -0.839313
C -2.370338 0.292492 1.075192
C -0.898950 0.553189 0.834238
C 0.030531 -0.273749 0.259214
C 1.452372 0.182800 0.110211
C -0.339677 -1.661330 -0.185184
C 2.242239 -0.157405 -1.022552
C 2.049535 0.986473 1.124011
C 4.154864 1.117103 -0.136453
C 3.568272 0.307890 -1.139506
C 3.373703 1.449567 0.997982
C -0.907097 -2.581209 0.739758
C 5.582967 1.594116 -0.258317
C -1.248370 -3.881624 0.310827
C -0.447509 -3.271719 -1.893998
C -1.019781 -4.238936 -1.037324
H -4.707823 1.486745 2.204998
H -5.061021 0.411833 0.806580
H -3.497077 0.896051 -1.355436
H -2.214883 2.125711 -1.094706
H -5.432383 3.432504 0.976434
H -6.281076 2.245895 -0.045313
H -4.789271 2.888247 -1.827236
H -3.845276 3.880372 -0.682892
H -2.708225 -0.630401 0.540253
H -2.537177 0.111472 2.158870
H -0.586668 1.565444 1.126678
H 1.792270 -0.768307 -1.809937
H 1.478626 1.224493 2.028515
H 4.158263 0.035483 -2.023339
H 3.816182 2.055760 1.797742
H -1.047452 -2.279027 1.782089
H 5.870504 1.666055 -1.328662
H 5.693278 2.597298 0.206228
H -1.679063 -4.601326 1.015278
H -0.248376 -3.504488 -2.946825
H -1.268890 -5.235250 -1.415730
H 7.395800 0.932404 0.379086


