%chk=000249538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249538

0 1
O 3.637477 -0.383125 0.319718
O -1.125972 -1.786207 0.632903
O 2.574170 0.869498 -1.231546
N -2.441305 -0.034054 0.041020
C -2.625552 1.366174 -0.409628
C -3.670879 -0.822984 0.329936
C -1.192177 -0.628429 0.241186
C -2.501811 2.355126 0.764419
C -4.275043 -1.399297 -0.962194
C 0.036959 0.212725 -0.050635
C 1.306723 -0.555238 0.309819
C -2.687448 3.792248 0.291798
C -5.558456 -2.168274 -0.666699
C 2.516056 0.077660 -0.316614
C 4.962291 0.071756 -0.164763
C 5.311313 -0.742967 -1.398014
C 5.857872 -0.195239 1.032845
H -1.886093 1.610048 -1.204794
H -3.626409 1.466560 -0.887626
H -3.404377 -1.656758 1.026080
H -4.404057 -0.178598 0.858761
H -1.513988 2.240910 1.255433
H -3.249267 2.109334 1.544571
H -3.535116 -2.068305 -1.448181
H -4.474394 -0.591300 -1.691230
H 0.060124 0.496506 -1.128693
H -0.002958 1.173680 0.506136
H 1.428310 -0.637846 1.412539
H 1.226123 -1.620544 -0.023301
H -2.599832 4.496253 1.128678
H -3.673338 3.950020 -0.161064
H -1.933730 4.079238 -0.451368
H -5.984502 -2.589819 -1.584959
H -6.324544 -1.529222 -0.213842
H -5.378489 -3.005586 0.019167
H 4.870723 1.156229 -0.396921
H 5.216068 -1.820180 -1.211779
H 6.337566 -0.552615 -1.730565
H 4.640657 -0.496830 -2.234206
H 5.834833 -1.255138 1.321899
H 6.898636 0.072320 0.820364
H 5.529839 0.376170 1.910753


%chk=000249538-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249538

0 1
O 3.702115 -0.399404 0.357829
O -1.149296 -1.849946 0.425373
O 2.589481 0.586489 -1.442402
N -2.440583 0.045089 0.061735
C -2.601726 1.471723 -0.293264
C -3.675065 -0.749914 0.271203
C -1.216687 -0.603625 0.161255
C -2.724607 2.409551 0.933313
C -4.205126 -1.389622 -1.033496
C 0.051000 0.232857 -0.081672
C 1.310781 -0.533083 0.356234
C -2.957994 3.876562 0.513741
C -5.510638 -2.177208 -0.794952
C 2.557455 -0.040925 -0.354310
C 5.035503 -0.055081 -0.263391
C 5.389437 -1.127375 -1.303755
C 6.015350 0.023902 0.908917
H -1.760094 1.797012 -0.929741
H -3.514714 1.566589 -0.913750
H -3.443971 -1.547231 0.999045
H -4.445286 -0.086819 0.711556
H -1.805636 2.331573 1.546254
H -3.558378 2.062188 1.574273
H -3.422933 -2.061399 -1.432320
H -4.375658 -0.600150 -1.793217
H 0.139082 0.463554 -1.162606
H -0.010127 1.205948 0.438823
H 1.468135 -0.489158 1.447130
H 1.165536 -1.607150 0.123594
H -3.045561 4.533874 1.397053
H -3.887732 3.981216 -0.076979
H -2.122388 4.254255 -0.105107
H -5.876742 -2.634279 -1.731757
H -6.311999 -1.521191 -0.403982
H -5.353260 -2.991173 -0.062870
H 4.915000 0.926520 -0.758979
H 5.431693 -2.125177 -0.832035
H 6.378563 -0.910079 -1.747382
H 4.644831 -1.145201 -2.117029
H 6.082585 -0.949295 1.426249
H 7.021766 0.294105 0.540919
H 5.693889 0.785375 1.639901


