%chk=000238862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238862

0 1
O -0.818352 1.055901 2.186765
O -1.194463 -0.321635 -2.218579
O -2.159377 -3.846445 -0.098449
O -1.808821 -2.661183 1.798871
O 6.019754 0.475063 0.711862
O 4.686113 0.115466 2.376350
N -0.806398 0.078373 0.058941
N 4.932413 0.183400 1.183911
C 0.143151 -1.018653 0.383937
C -0.354734 -2.371184 -0.156675
C 1.522747 -0.692899 -0.163121
C -1.227636 1.046705 1.059710
C -1.407237 0.326568 -1.223752
C -2.191837 1.941637 0.340205
C -2.297023 1.516832 -1.014275
C 2.556501 -0.406346 0.735788
C 1.774927 -0.668471 -1.544288
C -2.909836 3.019914 0.809368
C -3.120513 2.169474 -1.905601
C -1.485369 -2.918981 0.665278
C 3.833433 -0.112629 0.235927
C 3.052138 -0.370669 -2.028514
C -3.756996 3.692699 -0.104486
C -3.859407 3.278580 -1.426980
C 4.093754 -0.091229 -1.142441
C -3.273094 -4.531379 0.536068
H 0.180401 -1.076484 1.518168
H -0.661794 -2.293551 -1.230599
H 0.478328 -3.110713 -0.162014
H 2.385632 -0.403837 1.820183
H 0.959690 -0.875657 -2.249912
H -2.833065 3.348154 1.847371
H -3.204775 1.847281 -2.944504
H 3.235288 -0.354323 -3.104039
H -4.335192 4.549797 0.246220
H -4.517993 3.810220 -2.116377
H 5.100294 0.143864 -1.505100
H -2.881238 -5.235474 1.276240
H -3.749215 -5.044274 -0.306384
H -3.944303 -3.805715 1.007425


%chk=000238862-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238862

0 1
O -0.755196 1.064967 2.173599
O -1.289341 -0.288603 -2.311483
O -1.987445 -4.069916 0.043539
O -2.312562 -2.131618 1.293868
O 6.176186 0.326594 0.767646
O 4.708076 -0.020170 2.477360
N -0.798692 0.112094 -0.008353
N 4.997066 0.060517 1.222000
C 0.156847 -0.979638 0.299802
C -0.346294 -2.353292 -0.204758
C 1.568074 -0.667428 -0.214572
C -1.204582 1.046941 1.004844
C -1.458834 0.357566 -1.241746
C -2.208381 1.939943 0.350323
C -2.361955 1.526167 -0.994458
C 2.606947 -0.439896 0.713937
C 1.857063 -0.615188 -1.605373
C -2.929720 3.024481 0.870323
C -3.241244 2.183349 -1.867423
C -1.637811 -2.790016 0.469917
C 3.907586 -0.170021 0.237545
C 3.165748 -0.338133 -2.058141
C -3.823802 3.696127 -0.003909
C -3.976958 3.282317 -1.351777
C 4.211104 -0.113299 -1.138587
C -3.237709 -4.623647 0.623121
H 0.184599 -0.999378 1.405305
H -0.504905 -2.348544 -1.297202
H 0.426775 -3.116506 -0.000915
H 2.425924 -0.459803 1.793016
H 1.050699 -0.778409 -2.328909
H -2.803283 3.334356 1.912213
H -3.350921 1.854958 -2.905616
H 3.371825 -0.298269 -3.132402
H -4.405420 4.547305 0.365654
H -4.674147 3.820651 -2.002595
H 5.234252 0.100722 -1.457964
H -3.159787 -4.670779 1.722090
H -3.326567 -5.627612 0.186146
H -4.097317 -3.990692 0.346435


