%chk=000202081.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202081

0 1
O 0.624565 -1.970948 1.041801
O 0.593641 0.778831 -1.461211
N -2.590348 -0.116927 1.030586
N 2.018499 -0.749467 -0.469893
C -4.054324 -0.450953 1.034612
C -2.409052 0.833602 -0.118628
C -4.599068 -0.259315 -0.398318
C -3.543355 0.583472 -1.136887
C -1.734204 -1.336767 0.892646
C 3.312259 -0.745726 0.271732
C -0.354750 -1.000391 1.480030
C 3.853933 0.697197 0.136373
C 2.807794 1.487284 -0.667269
C 1.072077 -1.863602 -0.312058
C 1.655463 0.531814 -0.923753
H -4.251661 -1.464104 1.425644
H -4.534744 0.265462 1.735394
H -2.476600 1.857640 0.303796
H -1.405893 0.745784 -0.587258
H -5.579661 0.241892 -0.386438
H -4.750129 -1.229476 -0.898573
H -3.163307 0.054686 -2.026591
H -3.964880 1.534433 -1.499117
H -1.630495 -1.691179 -0.155688
H -2.182040 -2.181529 1.457179
H 3.998481 -1.488265 -0.183657
H 3.155155 -1.034498 1.332563
H 4.832989 0.703887 -0.372725
H 4.016025 1.150230 1.129792
H -0.323537 -1.130965 2.576807
H -0.019767 0.018145 1.222176
H 3.211172 1.860895 -1.627152
H 2.445471 2.379030 -0.122994
H 1.586755 -2.837062 -0.461038
H 0.216635 -1.724109 -1.009181


%chk=000202081-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202081

0 1
O 0.585369 -2.095099 1.056241
O 0.667102 0.643202 -1.610847
N -2.652569 -0.112780 1.070941
N 2.076044 -0.776163 -0.351398
C -4.111186 -0.416145 1.094585
C -2.533717 0.981278 0.054099
C -4.585011 -0.354718 -0.391353
C -3.656854 0.731614 -1.023501
C -1.780362 -1.283614 0.785923
C 3.414762 -0.766619 0.279075
C -0.394796 -1.046611 1.421627
C 3.801899 0.741233 0.274221
C 2.970624 1.346702 -0.886185
C 1.172254 -1.916081 -0.274427
C 1.757742 0.411463 -1.012824
H -4.304317 -1.384228 1.587516
H -4.622694 0.372368 1.681669
H -2.700917 1.952360 0.556793
H -1.524443 0.993160 -0.391312
H -5.656861 -0.103541 -0.481243
H -4.427629 -1.334300 -0.879710
H -3.226006 0.388595 -1.979855
H -4.211078 1.665046 -1.228010
H -1.667156 -1.483749 -0.306001
H -2.230096 -2.186006 1.238225
H 4.124597 -1.377268 -0.315458
H 3.360132 -1.190425 1.296461
H 4.887405 0.885754 0.150238
H 3.503165 1.203394 1.231324
H -0.471775 -1.093754 2.519440
H -0.011986 -0.046158 1.140802
H 3.521595 1.337933 -1.846073
H 2.636489 2.380815 -0.707003
H 1.725496 -2.853628 -0.451224
H 0.397877 -1.765030 -1.050052


