%chk=000183991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183991

0 1
O 3.234621 0.022641 1.056167
N -0.291237 -2.017151 -0.200719
C 0.969183 0.066151 0.145126
C -1.445840 0.160719 -0.282241
C -0.260957 -0.596497 -0.081995
C 2.253944 -0.721190 0.317499
C -2.775024 -0.498570 -0.542062
C 0.996315 1.464013 0.192723
C -1.378803 1.555831 -0.232059
C -0.167108 2.209930 0.008928
C 2.828475 -1.144580 -1.032560
C -3.469549 -0.899571 0.759267
H 2.104756 -1.596954 0.996563
H -3.432545 0.188799 -1.115596
H -2.653331 -1.379410 -1.205951
H 1.939974 1.974432 0.389009
H -2.284699 2.143839 -0.378613
H -0.133710 3.295473 0.053232
H 2.999694 -0.285953 -1.691617
H 2.141142 -1.815555 -1.565391
H 3.784911 -1.664828 -0.907415
H -2.862892 -1.589001 1.355350
H -4.432253 -1.384212 0.563157
H -3.663381 -0.021815 1.389371
H 0.417075 -2.505516 0.334982
H -1.200226 -2.437841 -0.046598
H 3.556966 0.791616 0.546444


%chk=000183991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183991

0 1
O 3.336205 0.092189 1.025158
N -0.312056 -1.948169 -0.110013
C 0.974357 0.130701 0.179054
C -1.459492 0.212415 -0.300084
C -0.263994 -0.544069 -0.071873
C 2.265926 -0.675303 0.363218
C -2.794455 -0.481796 -0.539277
C 0.991487 1.540895 0.229695
C -1.389203 1.623226 -0.267565
C -0.178645 2.297498 0.003135
C 2.787823 -1.251179 -0.976369
C -3.460088 -0.999253 0.767571
H 2.091474 -1.501113 1.082196
H -3.487133 0.229431 -1.026161
H -2.679625 -1.322721 -1.255782
H 1.927301 2.051602 0.481412
H -2.305717 2.198683 -0.450040
H -0.148115 3.391213 0.043178
H 3.049004 -0.423603 -1.663797
H 2.023708 -1.864034 -1.487108
H 3.688511 -1.866860 -0.805203
H -2.802676 -1.698747 1.316283
H -4.412002 -1.518892 0.551036
H -3.675415 -0.155491 1.446764
H 0.497255 -2.510583 0.130439
H -1.200964 -2.426491 -0.211828
H 3.712030 0.735249 0.370962


