%chk=000179179.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179179

0 1
O 0.745167 -1.426526 1.268309
O 4.373489 0.865314 -1.263131
O -0.831277 -2.851448 0.392768
N -1.345578 -0.645697 1.004095
N 2.406176 -2.828028 3.777380
C -2.715243 -0.614739 0.410626
C -3.735393 -0.132597 1.429865
C -2.653910 0.241438 -0.844618
C -3.520115 -0.283167 2.806412
C -2.619320 -0.383116 -2.098884
C -4.948492 0.410413 0.976192
C -2.597071 1.640232 -0.759922
C -0.543360 -1.753479 0.820038
C 1.718478 -2.515725 1.266297
C 2.889416 -2.089628 0.403987
C -4.497591 0.127102 3.718847
C -2.537993 0.389280 -3.261471
C -5.922885 0.815248 1.890914
C -2.515854 2.407898 -1.924347
C -5.698481 0.678627 3.264961
C -2.487061 1.783970 -3.176345
C 3.014309 -0.760293 -0.009433
C 3.833272 -3.053036 0.024402
C 4.096683 -0.426611 -0.830577
C 4.917764 -2.683172 -0.781570
C 5.060608 -1.369457 -1.225613
C 2.106947 -2.689370 2.672101
C 3.330310 1.788224 -1.408521
C 3.687127 3.103361 -1.078512
C 2.079335 1.451958 -1.935925
C 2.744478 4.110293 -1.291246
C 1.152280 2.479941 -2.129301
C 1.479943 3.801776 -1.809160
H -3.000597 -1.678151 0.139160
H -0.940301 0.237316 1.314398
H -2.597251 -0.728281 3.179544
H -2.652288 -1.470872 -2.173018
H -5.136489 0.518036 -0.092557
H -2.628928 2.129239 0.213883
H 1.227738 -3.451409 0.866404
H -4.320672 0.010282 4.787492
H -2.514452 -0.098827 -4.235273
H -6.860750 1.236773 1.531845
H -2.479208 3.494305 -1.856050
H -6.458185 0.996383 3.976811
H -2.428617 2.383680 -4.083478
H 2.288884 -0.011216 0.312674
H 3.734694 -4.085723 0.353565
H 5.655707 -3.433388 -1.069911
H 5.892094 -1.063040 -1.857641
H 4.674853 3.315821 -0.675268
H 1.838373 0.424596 -2.199515
H 2.995355 5.142793 -1.047664
H 0.166276 2.244096 -2.534488
H 0.751907 4.594500 -1.965533


%chk=000179179-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179179

0 1
O 0.768726 -1.086772 1.889886
O 4.215451 0.582271 -1.724258
O -0.563007 -2.708903 0.793984
N -1.310442 -0.508197 1.184961
N 3.414202 -1.526360 3.975178
C -2.598634 -0.619739 0.463455
C -3.799683 -0.313040 1.372668
C -2.526652 0.223887 -0.821734
C -3.674496 -0.293247 2.782661
C -2.034680 -0.370472 -2.010917
C -5.084516 -0.125666 0.799109
C -2.853603 1.603483 -0.827396
C -0.411001 -1.540656 1.231297
C 1.891218 -2.070265 1.852431
C 2.663928 -1.976868 0.538100
C -4.804966 -0.075056 3.603852
C -1.870159 0.397624 -3.185096
C -6.214699 0.084947 1.617429
C -2.687311 2.374489 -1.999687
C -6.079328 0.115674 3.025357
C -2.194602 1.774566 -3.182486
C 3.052042 -0.710205 0.043851
C 2.982577 -3.155191 -0.174717
C 3.748962 -0.636936 -1.181313
C 3.712401 -3.064438 -1.382108
C 4.096535 -1.807697 -1.893496
C 2.722408 -1.753770 3.031337
C 3.460791 1.779331 -1.575911
C 4.207128 2.968605 -1.434351
C 2.049659 1.804477 -1.670671
C 3.526723 4.204942 -1.376847
C 1.382998 3.048627 -1.607513
C 2.114770 4.250390 -1.458518
H -2.660286 -1.685158 0.166961
H -1.002926 0.408110 1.518123
H -2.693894 -0.461100 3.240800
H -1.775170 -1.436465 -2.012546
H -5.199710 -0.144907 -0.290801
H -3.252011 2.071230 0.080735
H 1.467684 -3.087828 1.959549
H -4.688977 -0.060842 4.693382
H -1.493147 -0.075287 -4.098562
H -7.199499 0.225035 1.157805
H -2.948848 3.438739 -1.993347
H -6.955863 0.281911 3.661268
H -2.069400 2.371470 -4.092683
H 2.804943 0.199051 0.600794
H 2.656614 -4.130631 0.201997
H 3.968160 -3.974176 -1.935017
H 4.651707 -1.712437 -2.831206
H 5.297806 2.908509 -1.373774
H 1.481463 0.878396 -1.805030
H 4.101071 5.131067 -1.265112
H 0.290414 3.070115 -1.686854
H 1.591431 5.211261 -1.411020


