%chk=000205563.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205563

0 1
O -7.835319 0.806593 0.442173
O 7.534987 -0.397291 -1.384487
O -2.800034 -2.236012 -1.493198
O 3.303193 0.651004 3.054800
O -1.632186 2.288109 0.149420
N -5.512184 -0.014744 -0.992872
N 5.647933 -0.683781 0.736053
N -2.695500 -0.037206 -0.807706
N 2.876892 -0.671549 1.209546
C -6.664011 0.635234 -1.701347
C -6.006382 -0.799413 0.187606
C 6.873852 -1.547309 0.673825
C 5.932345 0.661548 0.132365
C -7.385636 1.556719 -0.703329
C -6.747211 0.159429 1.132787
C 7.290962 -1.690872 -0.799716
C 6.376710 0.459246 -1.324581
C -4.741134 -0.891629 -1.923564
C 5.174464 -0.538058 2.145256
C -3.330977 -1.143701 -1.379969
C 3.706860 -0.100417 2.186089
C -1.375638 -0.024141 -0.264955
C 1.475642 -0.423117 1.006879
C -0.476386 -1.015264 -0.474695
C 0.892873 -1.071130 -0.040729
C -1.113522 1.244563 0.499956
C 0.790057 0.439076 1.964823
C -0.324104 1.147918 1.739783
H -6.266205 1.236410 -2.546632
H -7.383645 -0.099274 -2.122834
H -6.676846 -1.638162 -0.099935
H -5.130077 -1.244086 0.707350
H 7.721614 -1.137316 1.264711
H 6.627264 -2.545454 1.094005
H 5.001415 1.268352 0.164865
H 6.711120 1.228563 0.687691
H -6.734415 2.381606 -0.362800
H -8.330022 1.955899 -1.113192
H -7.266763 -0.376108 1.946813
H -6.073763 0.930247 1.547733
H 8.270674 -2.189769 -0.907324
H 6.524331 -2.218402 -1.394183
H 5.573194 0.024895 -1.944867
H 6.749147 1.394488 -1.779862
H -4.641663 -0.398360 -2.918458
H -5.213873 -1.882718 -2.118195
H 5.763010 0.188815 2.753842
H 5.253478 -1.514838 2.677717
H -3.222114 0.851501 -0.727689
H 3.333585 -1.257525 0.492572
H -0.786881 -1.887108 -1.085203
H 1.502533 -1.757060 -0.646971
H 1.268174 0.512714 2.962712
H -0.730321 1.786186 2.538922


%chk=000205563-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205563

0 1
O -7.448019 0.634083 0.565954
O 6.967013 -1.130939 -1.623075
O -2.203273 -1.659024 -2.543770
O 3.425939 1.165383 3.331822
O -2.881909 1.197803 1.421910
N -5.289193 -0.168284 -1.174484
N 5.480630 -0.557652 0.802819
N -2.682698 -0.219086 -0.727766
N 2.929706 -0.074645 1.363695
C -6.301131 0.821457 -1.624674
C -5.855647 -1.115393 -0.176211
C 6.467332 -1.675097 0.747028
C 5.865875 0.530810 -0.146002
C -6.853692 1.572583 -0.399816
C -6.421655 -0.324108 1.016250
C 6.571511 -2.201307 -0.694339
C 5.986320 -0.035776 -1.570139
C -4.498449 -0.812266 -2.237619
C 5.218882 -0.049564 2.171157
C -3.004299 -0.954801 -1.857179
C 3.759022 0.431072 2.355096
C -1.472992 -0.053109 -0.048042
C 1.535625 0.074506 1.145277
C -0.284157 -0.635144 -0.517019
C 1.033020 -0.580814 0.004508
C -1.680833 0.783316 1.168753
C 0.765866 0.858011 2.077889
C -0.591702 1.142632 2.068008
H -5.819681 1.541245 -2.313232
H -7.145323 0.329879 -2.164935
H -6.661590 -1.740004 -0.630240
H -5.053271 -1.791012 0.176057
H 7.474660 -1.339785 1.087609
H 6.127359 -2.487824 1.415780
H 5.092884 1.321728 -0.120186
H 6.837399 0.987969 0.154653
H -6.033170 2.141801 0.086365
H -7.667856 2.257565 -0.688260
H -6.933437 -0.991528 1.728549
H -5.597891 0.216886 1.527635
H 7.355536 -2.971095 -0.778343
H 5.594846 -2.630519 -1.008241
H 4.994018 -0.400883 -1.915683
H 6.357878 0.729782 -2.270060
H -4.535775 -0.196768 -3.156926
H -4.862800 -1.823827 -2.520894
H 5.882747 0.789674 2.468681
H 5.384271 -0.864562 2.901513
H -3.501449 0.282757 -0.308253
H 3.495270 -0.630397 0.687542
H -0.403424 -1.223144 -1.435044
H 1.773410 -1.141026 -0.585875
H 1.345268 1.281395 2.906070
H -0.957474 1.764347 2.896687


