%chk=000203184.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203184

0 1
O 3.347554 0.079586 -1.102413
O -3.227924 -1.209166 -0.424544
O 1.468448 3.196486 0.875597
O 3.729212 1.930938 0.132641
N -7.375597 -0.664069 0.340667
N -2.728222 0.857178 0.476388
C 6.904256 -1.092963 -0.531182
C 7.595532 -1.771760 0.658872
C 5.456823 -0.720794 -0.193300
C 9.045967 -2.148540 0.325764
C -8.422108 -1.216856 -0.574435
C 4.775726 -0.035886 -1.374996
C -5.982420 -1.018303 -0.052822
C -5.051912 0.077879 0.505186
C 9.738442 -2.824378 1.507178
C -9.775107 -0.641095 -0.135135
C -8.467373 -2.753628 -0.594821
C -3.617876 -0.201052 0.121004
C -1.323960 0.890705 0.259286
C 1.475267 1.054850 -0.113952
C 2.929936 1.132712 -0.296148
C 0.751678 2.106039 0.492806
C -0.636506 2.042996 0.688633
C -0.624774 -0.169764 -0.355344
C 0.747563 -0.077640 -0.534473
H 6.928086 -1.763835 -1.411771
H 7.467816 -0.184779 -0.823091
H 7.575090 -1.100591 1.539542
H 7.031877 -2.676066 0.958636
H 5.426096 -0.046928 0.688949
H 4.880447 -1.620443 0.099016
H 9.068342 -2.820357 -0.554452
H 9.611392 -1.243051 0.030003
H -8.187843 -0.846718 -1.608136
H 5.186287 0.969029 -1.577747
H 4.769361 -0.649660 -2.292921
H -5.653704 -2.014995 0.315179
H -5.889435 -1.050840 -1.161761
H -7.553063 -0.954832 1.306871
H -5.396563 1.065110 0.125013
H -5.154179 0.138095 1.608904
H 9.767081 -2.169904 2.385957
H 9.224917 -3.746272 1.802806
H 10.772879 -3.088908 1.261483
H -10.094467 -1.025031 0.839142
H -9.726722 0.453064 -0.054218
H -10.559193 -0.886065 -0.858989
H -8.656018 -3.173839 0.398135
H -7.530809 -3.184544 -0.963358
H -9.267001 -3.114683 -1.251355
H -3.125597 1.685657 0.929180
H -1.155927 2.868300 1.159237
H -1.162816 -1.062986 -0.691535
H 1.293537 -0.900463 -1.013737
H 0.905605 3.897860 1.297159


%chk=000203184-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203184

0 1
O 3.288870 -0.484735 -1.041016
O -3.355521 -1.911622 0.213813
O 1.257772 2.972910 0.504829
O 3.571457 1.723118 -0.337836
N -7.525697 -0.588828 0.404021
N -2.815767 0.327509 0.691182
C 7.076933 -1.079964 -0.523036
C 7.946087 -1.522782 0.675702
C 5.579001 -0.948752 -0.160885
C 9.446305 -1.649560 0.325325
C -8.601409 -0.641816 -0.624174
C 4.739011 -0.528913 -1.375225
C -6.151866 -0.859402 -0.065477
C -5.134599 -0.437235 1.024801
C 10.308567 -2.095253 1.526150
C -9.918180 -0.154050 0.013128
C -8.782130 -2.036070 -1.286638
C -3.698992 -0.758644 0.606630
C -1.429614 0.375102 0.387576
C 1.365869 0.638814 -0.189164
C 2.817826 0.734346 -0.500126
C 0.615145 1.749289 0.306571
C -0.763138 1.610197 0.587251
C -0.699162 -0.742219 -0.102139
C 0.668216 -0.586454 -0.377029
H 7.197787 -1.810547 -1.350619
H 7.451505 -0.107668 -0.905226
H 7.824192 -0.795678 1.505188
H 7.576019 -2.496818 1.058596
H 5.453221 -0.197546 0.641409
H 5.201042 -1.914852 0.227185
H 9.566323 -2.373289 -0.506838
H 9.814609 -0.674881 -0.055083
H -8.309186 0.080492 -1.414453
H 5.050512 0.465613 -1.743253
H 4.800413 -1.272740 -2.187918
H -5.949054 -1.920344 -0.333764
H -5.983488 -0.257120 -0.979809
H -7.769237 -1.167414 1.222712
H -5.285631 0.632354 1.261163
H -5.350547 -1.010244 1.948820
H 10.231392 -1.371399 2.359380
H 9.978114 -3.080174 1.907017
H 11.375797 -2.180174 1.250130
H -10.238850 -0.837844 0.824014
H -9.786267 0.852929 0.444875
H -10.730289 -0.118869 -0.735098
H -9.106032 -2.783189 -0.535982
H -7.840514 -2.392788 -1.742034
H -9.549661 -1.998340 -2.082162
H -3.228045 1.203800 1.019727
H -1.322517 2.477693 0.966611
H -1.207072 -1.694261 -0.255661
H 1.240735 -1.436080 -0.755998
H 0.617844 3.649191 0.845431


