%chk=000182569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182569

0 1
O -2.827364 0.191583 1.366265
O 1.041084 -0.333480 -0.155286
O -2.158000 2.199591 -1.229310
O -0.705957 2.187402 0.501013
O 1.786478 -0.971335 1.878197
N -2.331576 -1.890910 -1.496140
C -2.599681 -0.527892 -0.922802
C -1.901671 -2.664923 -0.272777
C -3.314514 -0.799113 0.450097
C -1.194204 0.112404 -0.764800
C -2.854089 -2.213895 0.868294
C -0.449867 -2.227880 0.005695
C -0.333950 -0.711534 0.217349
C -3.506943 -2.479775 -2.191538
C -1.284932 1.566591 -0.353727
C -3.655658 0.410888 2.523180
C 2.022484 -0.467544 0.802038
C -2.383824 3.615153 -1.009245
C 3.318598 0.046689 0.297894
C 4.455539 -0.119508 1.105739
C 3.419423 0.691116 -0.943568
C 5.692099 0.355583 0.664760
C 4.660344 1.164136 -1.378055
C 5.793921 0.996156 -0.575636
H -3.224712 0.104566 -1.591106
H -1.948612 -3.759564 -0.448846
H -4.412982 -0.719185 0.356107
H -0.691139 0.082133 -1.775447
H -3.699438 -2.905871 0.983362
H -2.338214 -2.182212 1.843724
H -0.044074 -2.756082 0.889905
H 0.191538 -2.523411 -0.852101
H -0.511541 -0.407968 1.275935
H -4.402947 -2.616333 -1.569555
H -3.215246 -3.461732 -2.600958
H -3.771384 -1.840643 -3.050550
H -3.742671 -0.504258 3.114588
H -4.636102 0.792618 2.226442
H -3.087281 1.175453 3.071449
H -1.427568 4.136832 -0.893057
H -3.000528 3.738713 -0.114114
H -2.910383 3.922381 -1.917713
H 4.360407 -0.617323 2.074506
H 2.525577 0.819257 -1.559513
H 6.576080 0.229229 1.287749
H 4.742895 1.665536 -2.340932
H 6.760382 1.366962 -0.916714


%chk=000182569-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182569

0 1
O -2.943627 0.299782 1.330264
O 1.076279 -0.307780 -0.297694
O -2.216222 2.257999 -1.244521
O -0.573442 2.130761 0.399212
O 1.766240 -0.844136 1.866873
N -2.468893 -1.937917 -1.515944
C -2.663827 -0.567094 -0.962708
C -1.925864 -2.672202 -0.322064
C -3.331687 -0.793798 0.443010
C -1.250894 0.092972 -0.861877
C -2.823303 -2.210066 0.880724
C -0.448746 -2.245831 -0.154379
C -0.318473 -0.719912 0.055566
C -3.686505 -2.539810 -2.106221
C -1.286754 1.563515 -0.452884
C -3.687437 0.338509 2.588446
C 2.024925 -0.391703 0.722477
C -2.334725 3.704193 -0.952653
C 3.364852 0.098284 0.281014
C 4.435389 0.039132 1.210435
C 3.587878 0.611811 -1.022698
C 5.719098 0.488164 0.838876
C 4.874487 1.059086 -1.390874
C 5.941456 0.998094 -0.462925
H -3.291662 0.046137 -1.626554
H -1.978952 -3.761118 -0.493461
H -4.438514 -0.792361 0.335903
H -0.849752 0.054624 -1.893831
H -3.662394 -2.910391 1.037255
H -2.249539 -2.149557 1.822826
H 0.019147 -2.770667 0.697854
H 0.092868 -2.523902 -1.076461
H -0.489984 -0.442494 1.109496
H -4.540830 -2.670945 -1.398804
H -3.433068 -3.532696 -2.517930
H -4.031670 -1.906566 -2.942371
H -3.507281 -0.569612 3.199298
H -4.778348 0.440959 2.405337
H -3.317611 1.221474 3.132424
H -1.364236 4.207201 -1.102231
H -2.660209 3.855024 0.090577
H -3.088016 4.076039 -1.661949
H 4.236850 -0.357967 2.211465
H 2.752865 0.657555 -1.726897
H 6.543839 0.442622 1.558422
H 5.046573 1.456261 -2.397297
H 6.939516 1.346929 -0.751729


