%chk=000176874.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176874

0 1
O -5.357634 -0.576685 -2.266661
O 5.359128 -0.711331 2.226258
O -6.063347 2.227606 1.466449
O 6.060780 2.325101 -1.322045
N -5.570312 -0.285919 -0.015981
N 5.570890 -0.277751 -0.001398
C 0.000786 -0.813275 -0.025544
C -1.236258 -1.671140 -0.323263
C 1.239129 -1.686423 0.217265
C -2.475207 -0.797310 -0.559586
C 2.476792 -0.827465 0.508467
C -3.706542 -1.655710 -0.869621
C 3.709414 -1.701935 0.763632
C -4.921211 -0.790830 -1.147127
C 4.922816 -0.854569 1.095417
C -6.711496 0.642442 -0.154615
C 6.710784 0.641555 0.195799
C -6.285144 2.103653 0.045326
C 6.282406 2.111883 0.088476
H 0.188081 -0.118255 -0.867290
H -0.187511 -0.173287 0.858555
H -1.420604 -2.371036 0.514834
H -1.048701 -2.306860 -1.210962
H 1.052591 -2.377363 1.062920
H 1.424453 -2.331563 -0.663470
H -2.289145 -0.098654 -1.401274
H -2.663612 -0.162118 0.327781
H 2.664209 -0.137116 -0.336921
H 2.289726 -0.183739 1.392664
H -3.518906 -2.279685 -1.771856
H -3.905001 -2.374490 -0.050926
H 3.522727 -2.382052 1.624543
H 3.908931 -2.367159 -0.098901
H -5.145511 -0.319330 0.906592
H 5.146123 -0.253335 -0.924260
H -7.173618 0.516861 -1.165031
H -7.479553 0.372992 0.608570
H 7.172999 0.453037 1.196343
H 7.479287 0.421924 -0.582749
H -5.349888 2.349083 -0.487947
H -7.084466 2.802461 -0.258113
H 5.346668 2.321807 0.635875
H 7.080659 2.791233 0.435749
H -5.826124 3.146280 1.691740
H 5.822411 3.255868 -1.488915


%chk=000176874-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176874

0 1
O -4.961561 0.800866 -1.914205
O 4.971292 0.693745 1.957838
O -8.198927 -0.186434 1.645634
O 8.207538 -0.109062 -1.665644
N -6.196810 -0.357724 -0.317827
N 6.193184 -0.341189 0.269063
C -0.011555 -0.112408 0.047507
C -1.276886 -0.957731 -0.221176
C 1.274882 -0.959764 0.169453
C -2.548909 -0.099428 -0.391452
C 2.531860 -0.108566 0.450568
C -3.818885 -0.952208 -0.624261
C 3.819556 -0.959841 0.546833
C -5.026742 -0.091243 -1.010277
C 5.028889 -0.127935 0.989060
C -7.447336 0.368365 -0.562048
C 7.447855 0.360733 0.558667
C -7.997619 0.961680 0.736154
C 8.016319 1.001643 -0.708595
H 0.112899 0.627994 -0.769903
H -0.152152 0.474726 0.978687
H -1.418147 -1.679660 0.610948
H -1.123274 -1.565587 -1.137866
H 1.147907 -1.705172 0.982972
H 1.418094 -1.541388 -0.765834
H -2.434006 0.586147 -1.252056
H -2.691519 0.538241 0.504531
H 2.651633 0.652541 -0.346971
H 2.415308 0.447355 1.399706
H -3.629001 -1.647598 -1.466865
H -4.038888 -1.574839 0.265356
H 3.666039 -1.751529 1.308198
H 4.019594 -1.472561 -0.414851
H -6.208176 -1.048361 0.435228
H 6.201101 -0.980545 -0.528166
H -7.225771 1.163553 -1.295156
H -8.207263 -0.309440 -0.997435
H 7.226733 1.125953 1.323105
H 8.196900 -0.342080 0.973166
H -7.270718 1.681123 1.165590
H -8.957494 1.480552 0.534085
H 7.303182 1.749426 -1.112010
H 8.982099 1.496962 -0.477992
H -8.530457 0.129266 2.522219
H 8.551228 0.238822 -2.525177


