%chk=000297846.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297846

0 1
O 2.134798 1.410491 -0.326929
O 2.259291 0.555989 1.771932
O -0.555591 -2.119222 -1.019148
O -4.538909 -2.549369 0.285892
O -3.472878 -2.016006 2.250702
N 0.916878 -1.720612 0.682723
N -2.441389 -3.326495 0.596266
C 3.013987 -2.936409 -1.218928
C 3.166916 -1.616945 -0.428536
C 1.823125 -0.918110 -0.165290
C 2.330978 -2.712665 -2.570508
C 4.395361 -3.577383 -1.406504
C 2.097405 0.393685 0.585511
C -0.244284 -2.273622 0.150349
C -1.079171 -3.109759 1.124146
C 2.442808 2.761274 0.151511
C 3.932072 2.941111 0.214669
C 4.640314 2.501663 1.343486
C 4.616964 3.546845 -0.847865
C -3.463008 -2.532737 1.154700
C 6.024147 2.677442 1.410825
C 6.002236 3.721716 -0.774994
C -5.735486 -1.831074 0.724297
C 6.706095 3.289448 0.353336
C -5.679384 -0.410244 0.238735
C -5.132206 -0.117765 -1.018699
C -6.193860 0.621488 1.036294
C -5.103847 1.201578 -1.477075
C -6.169231 1.938905 0.569456
C -5.625537 2.230436 -0.685750
H 2.380886 -3.635521 -0.617034
H 3.690970 -1.818992 0.526447
H 3.824589 -0.921584 -0.991854
H 1.308497 -0.693282 -1.149875
H 2.841423 -1.953181 -3.170782
H 1.284764 -2.391371 -2.443590
H 2.307507 -3.633710 -3.162988
H 5.059168 -2.944478 -2.006094
H 4.315119 -4.539612 -1.925144
H 4.892156 -3.763722 -0.448992
H 1.192567 -1.841558 1.655779
H -0.601275 -4.112530 1.256890
H -1.129807 -2.646424 2.143105
H 1.950937 3.377403 -0.624723
H 1.950368 2.916259 1.130602
H -2.480704 -3.492484 -0.420278
H 4.104526 2.014128 2.163217
H 4.074557 3.878621 -1.731866
H 6.571963 2.337680 2.288488
H 6.532958 4.194546 -1.599700
H -6.531805 -2.414844 0.220788
H -5.829401 -1.913965 1.824169
H 7.784512 3.428116 0.408722
H -4.720522 -0.924021 -1.627230
H -6.605253 0.403404 2.020448
H -4.673726 1.427668 -2.451466
H -6.569912 2.739938 1.188404
H -5.605355 3.257464 -1.045143


%chk=000297846-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297846

0 1
O 3.507564 1.760730 -1.074560
O 2.474298 1.661604 1.019304
O -0.331616 -1.276137 -1.520116
O -4.623603 -2.383415 -0.236095
O -3.846682 -1.772210 1.916948
N 1.001220 -0.508914 0.233579
N -2.482057 -1.666271 0.020369
C 2.938652 -2.639103 -1.056969
C 3.311167 -1.238247 -0.505357
C 2.168840 -0.177575 -0.597082
C 2.658229 -2.610735 -2.578234
C 4.074283 -3.636097 -0.721608
C 2.706044 1.173558 -0.115545
C -0.173322 -0.994917 -0.289995
C -1.308029 -1.185016 0.732603
C 4.195641 3.058654 -0.688411
C 5.541077 2.796134 -0.053818
C 5.657833 2.658158 1.353971
C 6.703417 2.687856 -0.859585
C -3.655990 -1.919135 0.676380
C 6.917417 2.412183 1.943317
C 7.963117 2.440949 -0.270844
C -5.986230 -2.621282 0.345673
C 8.072032 2.303074 1.132873
C -6.845813 -1.375397 0.296971
C -7.702704 -1.133962 -0.806728
C -6.803927 -0.433610 1.358296
C -8.502779 0.029716 -0.854859
C -7.602649 0.730150 1.310957
C -8.454119 0.964665 0.205433
H 2.016799 -2.980170 -0.542729
H 3.617070 -1.326871 0.557025
H 4.182938 -0.846112 -1.065340
H 1.830201 -0.093172 -1.644071
H 3.526474 -2.200819 -3.130531
H 1.764555 -2.007643 -2.814755
H 2.471585 -3.633375 -2.954807
H 5.020175 -3.334563 -1.212140
H 3.821750 -4.652384 -1.075667
H 4.259769 -3.691231 0.367810
H 1.039771 -0.188764 1.207189
H -0.993971 -1.903029 1.516850
H -1.519968 -0.227022 1.249156
H 4.282804 3.573276 -1.657311
H 3.515594 3.604557 -0.013033
H -2.386607 -1.802827 -0.991843
H 4.758583 2.734513 1.975667
H 6.619425 2.795455 -1.948039
H 7.000050 2.309330 3.030902
H 8.855857 2.360806 -0.900755
H -6.390044 -3.422047 -0.293928
H -5.853644 -2.981617 1.380591
H 9.049339 2.115165 1.591455
H -7.738955 -1.857663 -1.630559
H -6.131131 -0.616525 2.203614
H -9.162150 0.206099 -1.712193
H -7.563790 1.451902 2.134672
H -9.075492 1.866924 0.170808


