%chk=000229444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229444

0 1
O 2.699756 1.563932 1.401088
O 0.461075 2.250956 -1.493310
O 3.084608 -2.695842 -0.353339
N 1.533647 -0.979242 -0.818925
N 3.205317 -0.596982 0.709718
C 1.225766 0.350029 -0.211479
C -0.081681 0.388908 0.586646
C -1.322117 0.087147 -0.263585
C -2.585657 0.039144 0.606063
C -3.833033 -0.244506 -0.241361
C 2.432410 0.593901 0.747697
C 1.287092 1.387937 -1.369407
C -5.099555 -0.294153 0.625044
C 2.647707 -1.590082 -0.169607
C -6.344388 -0.576263 -0.212811
H -0.185304 1.404673 1.034836
H -0.024750 -0.314827 1.441287
H -1.435003 0.872101 -1.043092
H -1.206404 -0.870089 -0.805247
H -2.709454 1.000509 1.143287
H -2.480301 -0.734438 1.390973
H -3.714758 -1.200933 -0.785639
H -3.944927 0.533523 -1.021761
H 0.745843 -1.560886 -1.105921
H 2.140612 1.246472 -2.049123
H -4.992013 -1.070931 1.407262
H -5.223565 0.664744 1.165985
H 4.069197 -0.740253 1.228511
H -7.243620 -0.608223 0.412928
H -6.273310 -1.538178 -0.733045
H -6.503291 0.196551 -0.973773


%chk=000229444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229444

0 1
O 2.619928 1.497539 1.589161
O 0.601524 2.418128 -1.302154
O 3.333763 -2.613594 -0.613489
N 1.591205 -0.991808 -0.758733
N 3.304288 -0.560702 0.619237
C 1.246808 0.311240 -0.164922
C -0.089120 0.354043 0.618261
C -1.328453 -0.022963 -0.223822
C -2.631623 0.064699 0.603273
C -3.891340 -0.300219 -0.213474
C 2.461575 0.536700 0.806966
C 1.330305 1.408387 -1.262796
C -5.197706 -0.201544 0.607042
C 2.792900 -1.528889 -0.306603
C -6.452712 -0.562527 -0.216578
H -0.197408 1.383591 1.006322
H -0.008769 -0.322200 1.490994
H -1.409040 0.653476 -1.096407
H -1.226038 -1.057516 -0.615103
H -2.738284 1.094500 1.001605
H -2.556827 -0.606111 1.484421
H -3.788248 -1.331359 -0.612320
H -3.963448 0.369637 -1.095551
H 0.984090 -1.510029 -1.390943
H 2.118991 1.203604 -2.030819
H -5.126654 -0.870884 1.488646
H -5.299411 0.828261 1.005883
H 4.176021 -0.710340 1.128450
H -7.372806 -0.480310 0.390568
H -6.392083 -1.598895 -0.599472
H -6.561529 0.110784 -1.087741


