%chk=000271287.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271287

0 1
O -0.745255 2.194220 -2.410477
O 0.517873 3.174036 -0.069569
O -0.687499 -0.270081 -3.198492
O 0.406220 1.719434 2.263417
N -3.127719 -0.478959 -1.981534
N 2.518898 -0.385125 1.622458
N -2.250135 -0.319167 0.131625
N 2.751105 1.084875 -0.120955
C -0.001567 1.334800 -1.523860
C -0.116393 1.891457 -0.091868
C -0.611055 -0.061795 -1.786316
C 0.470552 1.004075 1.030732
C -1.979523 -0.267483 -1.190878
C 1.903344 0.592126 0.807879
C -4.196487 -0.674203 -1.088706
C 3.847230 -0.500184 1.175231
C -3.632750 -0.566931 0.229342
C 3.975295 0.419556 0.078848
C -5.565494 -0.924392 -1.286347
C 4.924455 -1.300429 1.595104
C -4.462628 -0.710497 1.358513
C 5.203864 0.530074 -0.602417
C -6.365223 -1.064155 -0.161228
C 6.125784 -1.175639 0.913027
C -5.812533 -0.956262 1.163444
C 6.265310 -0.258382 -0.188540
C -7.826916 -1.330691 -0.332708
C 7.293869 -2.009911 1.331820
C -6.708128 -1.110470 2.351968
C 7.577081 -0.153686 -0.899732
H 1.062841 1.345176 -1.877868
H -1.181663 2.142460 0.160749
H 0.078468 -0.873551 -1.434543
H -0.190348 0.111537 1.219601
H -3.156137 -0.520577 -2.984296
H 2.114183 -0.840539 2.420680
H -0.586276 3.140353 -2.171574
H 1.487140 3.091886 -0.284720
H -0.905611 0.584363 -3.663032
H 0.691051 2.662770 2.123921
H -5.972656 -1.002683 -2.289395
H 4.808733 -1.989204 2.426239
H -4.027626 -0.623551 2.352791
H 5.291207 1.227589 -1.433619
H -8.116935 -2.280101 0.140242
H -8.432909 -0.536675 0.127373
H -8.126491 -1.392649 -1.386835
H 8.144754 -1.381829 1.633671
H 7.064368 -2.667530 2.180350
H 7.638264 -2.654798 0.510133
H -7.189965 -2.098212 2.364176
H -6.167460 -1.006192 3.302209
H -7.504670 -0.352977 2.352758
H 7.555275 0.578116 -1.718414
H 8.379685 0.156046 -0.215373
H 7.871204 -1.117039 -1.340205


%chk=000271287-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271287

0 1
O -0.473354 1.870337 -2.627585
O 0.751392 2.772616 -0.363794
O -1.047115 -0.511177 -3.399142
O 0.324209 1.440970 2.171136
N -3.366943 -0.583285 -1.988964
N 2.606796 -0.736106 1.337574
N -2.406851 -0.451458 0.074692
N 2.836170 1.132919 0.069622
C 0.018036 0.859499 -1.669231
C -0.027161 1.510257 -0.268318
C -0.847223 -0.404474 -1.945318
C 0.503407 0.674464 0.917285
C -2.193441 -0.448544 -1.254596
C 1.965417 0.347589 0.746457
C -4.429315 -0.667862 -1.078233
C 3.975648 -0.648811 1.031616
C -3.810769 -0.578352 0.213696
C 4.103517 0.531549 0.229540
C -5.823026 -0.807955 -1.227492
C 5.086474 -1.451675 1.355241
C -4.612374 -0.626657 1.375179
C 5.372292 0.913670 -0.257110
C -6.618337 -0.858444 -0.060422
C 6.354473 -1.064106 0.867183
C -6.011119 -0.766494 1.245691
C 6.498027 0.123273 0.057836
C -8.124965 -1.007002 -0.186565
C 7.573111 -1.906903 1.199307
C -6.881130 -0.817490 2.490810
C 7.868730 0.526841 -0.457852
H 1.068915 0.610733 -1.924238
H -1.060342 1.806308 -0.028521
H -0.269142 -1.295773 -1.637606
H -0.132340 -0.217608 1.043615
H -3.369884 -0.645765 -3.006941
H 2.154251 -1.430467 1.930077
H -0.097147 2.741389 -2.322133
H 1.731250 2.474191 -0.379508
H -0.968034 0.427708 -3.738846
H 0.591955 2.378300 1.962846
H -6.292672 -0.876245 -2.214881
H 4.986853 -2.353342 1.969044
H -4.146744 -0.551024 2.363203
H 5.477078 1.814336 -0.870209
H -8.489562 -1.920923 0.321237
H -8.659025 -0.154138 0.275502
H -8.435335 -1.063606 -1.243964
H 8.338604 -1.319721 1.741899
H 7.304284 -2.772052 1.828688
H 8.061455 -2.294568 0.284531
H -7.446313 -1.767480 2.558344
H -6.270518 -0.724753 3.404790
H -7.629602 -0.001440 2.501841
H 7.811024 1.448955 -1.060028
H 8.579980 0.710121 0.370469
H 8.316435 -0.261925 -1.092656


