%chk=000241923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241923

0 1
O 5.616905 -0.329771 -1.583975
O 5.813839 -0.904472 0.491959
N -0.834213 0.939118 1.477368
N -1.304006 -0.358398 -0.555817
N 5.159450 -0.546576 -0.473740
C -1.848753 2.031520 1.477554
C -0.381996 2.343567 1.698554
C -0.496282 0.218902 0.272612
C 0.975038 0.013955 0.078643
C 1.544119 0.229072 -1.186319
C 1.770130 -0.397446 1.160135
C -2.727781 -0.314435 -0.514115
C 2.914231 0.044503 -1.371757
C 3.140316 -0.585380 0.982106
C 3.702781 -0.356283 -0.282884
C -3.395567 0.009600 -1.712064
C -3.457822 -0.683344 0.631347
C -4.789283 -0.032016 -1.749786
C -4.852015 -0.727777 0.570171
C -5.519884 -0.398275 -0.613237
H -2.549161 2.015066 2.320626
H -2.348769 2.334127 0.553625
H 0.191622 2.875458 0.936591
H -0.005294 2.557918 2.705088
H 0.910622 0.519503 -2.028110
H 1.313202 -0.574208 2.138054
H 3.377068 0.204356 -2.352102
H 3.777667 -0.909072 1.812686
H -2.822906 0.275052 -2.599088
H -2.936075 -0.944968 1.551249
H -5.311673 0.217224 -2.673055
H -5.420822 -1.021908 1.451818
H -6.606586 -0.432411 -0.653439


%chk=000241923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241923

0 1
O 5.572536 -0.786140 -1.789071
O 5.957586 -0.568109 0.448851
N -0.867719 0.819227 1.543123
N -1.300350 -0.070098 -0.683256
N 5.171613 -0.584992 -0.577345
C -1.889482 1.886157 1.736646
C -0.426407 2.137800 2.100898
C -0.484558 0.297840 0.281729
C 0.982277 0.081718 0.080398
C 1.475981 -0.150459 -1.232963
C 1.890361 0.074049 1.175487
C -2.710371 -0.128616 -0.631323
C 2.845259 -0.366681 -1.458055
C 3.263320 -0.149196 0.966373
C 3.725615 -0.359435 -0.351188
C -3.418698 0.142970 -1.838392
C -3.446260 -0.561418 0.514474
C -4.821971 0.030279 -1.887168
C -4.847924 -0.704052 0.444076
C -5.546763 -0.395748 -0.747112
H -2.624557 1.699447 2.525622
H -2.285856 2.377799 0.840842
H 0.156258 2.799566 1.448245
H -0.124852 2.131519 3.153211
H 0.755705 -0.164076 -2.055264
H 1.515703 0.212535 2.193005
H 3.244565 -0.541099 -2.460425
H 3.977100 -0.167363 1.793869
H -2.843668 0.437130 -2.722339
H -2.911115 -0.818682 1.434504
H -5.351231 0.256441 -2.819643
H -5.397775 -1.056581 1.324341
H -6.636221 -0.499531 -0.791454


