%chk=000267389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267389

0 1
O 1.061464 -0.568987 -0.217096
O -1.064274 -0.575149 0.191654
O 8.612186 1.062919 -0.711996
O -8.616348 1.037281 0.728114
O 7.536178 -0.826034 0.026430
O -7.538774 -0.830819 -0.059440
O -0.002245 1.483910 0.013903
N 6.378980 1.095961 -0.701847
N -6.383163 1.072292 0.719207
C 5.021500 0.672972 -0.556866
C -5.025340 0.654321 0.563299
C 2.366647 -0.032778 -0.314950
C -2.369901 -0.042744 0.303261
C 4.684922 -0.610911 -0.080077
C -4.687701 -0.616321 0.053026
C 4.016203 1.597665 -0.908270
C -4.020800 1.570289 0.938964
C 3.347106 -0.968255 0.048062
C -3.349572 -0.969123 -0.084298
C 2.671971 1.243362 -0.788863
C -2.676299 1.220303 0.810458
C -0.001751 0.281167 -0.001675
C 7.496375 0.304937 -0.405064
C -7.499903 0.288474 0.401579
C 9.916047 0.457627 -0.415049
C -9.919696 0.438957 0.415227
C 10.179931 0.498281 1.073408
C -10.183518 0.518630 -1.071668
H 5.470916 -1.327117 0.192533
H -5.473082 -1.325756 -0.238402
H 4.273019 2.590940 -1.273844
H -4.278466 2.553417 1.330442
H 3.054201 -1.953245 0.414521
H -3.055879 -1.943929 -0.476460
H 1.883486 1.955416 -1.049294
H -1.888385 1.925888 1.089550
H 6.547318 2.040991 -1.060299
H -6.552277 2.007462 1.102294
H 10.575426 1.126731 -0.999230
H 9.925733 -0.568078 -0.825345
H -9.928571 -0.597219 0.798334
H -10.579655 1.091886 1.016794
H 9.505614 -0.182320 1.617149
H 10.026110 1.503522 1.486867
H 11.207549 0.194697 1.307645
H -9.508555 -0.146782 -1.633115
H -10.030579 1.534567 -1.458448
H -11.210847 0.220403 -1.313927


%chk=000267389-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267389

0 1
O 1.092802 -0.257815 -0.058280
O -1.092676 -0.262847 0.041413
O 8.827900 1.115287 -0.425949
O -8.833211 1.075659 0.422819
O 7.686794 -0.950634 -0.365848
O -7.680327 -0.984493 0.412401
O -0.005699 1.836963 -0.028461
N 6.576918 1.146122 -0.301608
N -6.583300 1.115980 0.282301
C 5.205911 0.780586 -0.241764
C -5.210575 0.756726 0.223296
C 2.449226 0.203485 -0.120387
C -2.451339 0.192223 0.100298
C 4.765442 -0.570651 -0.230315
C -4.762382 -0.591869 0.243310
C 4.247748 1.825757 -0.191642
C -4.258776 1.805644 0.140681
C 3.387750 -0.848140 -0.169344
C -3.383491 -0.863083 0.181208
C 2.866354 1.553199 -0.130907
C -2.876202 1.539376 0.078618
C -0.002259 0.588046 -0.016423
C 7.677617 0.305958 -0.360455
C -7.678600 0.271497 0.372125
C 10.127543 0.384202 -0.449505
C -10.128171 0.337844 0.476475
C 10.595637 0.049943 0.969323
C -10.602670 -0.042005 -0.928743
H 5.496609 -1.380040 -0.269352
H -5.488605 -1.404112 0.307309
H 4.579072 2.871586 -0.200354
H -4.596050 2.849483 0.124689
H 3.025907 -1.880238 -0.159323
H -3.015774 -1.893050 0.195355
H 2.141086 2.366192 -0.093746
H -2.155895 2.355324 0.017206
H 6.798993 2.144017 -0.310223
H -6.811166 2.112458 0.265151
H 10.808538 1.086001 -0.957141
H 10.003396 -0.530249 -1.055946
H -9.994876 -0.557121 1.109435
H -10.810357 1.050678 0.966812
H 9.903179 -0.660501 1.451177
H 10.664622 0.961355 1.588096
H 11.597041 -0.418023 0.930736
H -9.909137 -0.763234 -1.392673
H -10.679860 0.849836 -1.574477
H -11.601384 -0.513622 -0.870172


