%chk=000259318.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259318

0 1
O -5.160769 0.163254 -1.209383
O -1.984525 -2.561121 0.406225
O 0.566423 0.319906 -1.867360
N -1.939232 -0.571001 -0.721931
N -4.713128 -1.805714 -0.173862
N 1.004619 -1.599397 -0.722480
C -3.024327 1.566379 -0.068500
C -2.140356 2.268111 0.982486
C -3.057639 0.036155 0.040618
C -2.667776 2.033687 2.403206
C -0.669149 1.855086 0.870504
C -4.394472 -0.504303 -0.536131
C -1.448344 -1.825415 -0.414424
C -0.210806 -2.268877 -1.212987
C 1.307204 -0.291104 -1.109099
C 2.580198 0.254099 -0.546514
C 3.554969 0.731299 -1.432961
C 2.781645 0.324755 0.838454
C 4.744416 1.264777 -0.928446
C 3.971186 0.863860 1.335189
C 4.952844 1.329662 0.453096
H -4.066549 1.952022 0.013673
H -2.710010 1.874223 -1.087693
H -2.204346 3.368009 0.768953
H -2.983522 -0.273494 1.122872
H -3.706997 2.365539 2.504882
H -2.633200 0.974360 2.682792
H -2.074241 2.583354 3.141662
H -0.032604 2.492119 1.493673
H -0.303758 1.940139 -0.162355
H -0.511895 0.820532 1.190636
H -1.441219 0.045423 -1.385409
H -0.356927 -2.058096 -2.301947
H -0.102429 -3.374449 -1.109479
H -4.040644 -2.422354 0.278373
H -5.537555 -2.241341 -0.557751
H 1.566410 -2.108535 -0.047547
H 3.378931 0.693142 -2.509686
H 2.012266 -0.023897 1.527357
H 5.506487 1.635181 -1.613737
H 4.132628 0.924279 2.411019
H 5.880393 1.748246 0.844214


%chk=000259318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259318

0 1
O -5.118030 0.382442 -1.416594
O -2.213842 -2.632056 0.581773
O 0.604052 0.035930 -1.861346
N -1.872188 -0.651573 -0.612295
N -4.662919 -1.715762 -0.514594
N 1.007744 -1.709002 -0.400338
C -2.842426 1.609798 -0.207613
C -2.183881 2.320269 1.008409
C -3.038124 0.083864 -0.064509
C -3.089967 2.278944 2.263603
C -0.766036 1.787843 1.329609
C -4.371636 -0.389951 -0.745495
C -1.516018 -1.909578 -0.214471
C -0.199644 -2.441509 -0.824485
C 1.360453 -0.505834 -0.979371
C 2.653943 0.127202 -0.553531
C 3.187758 1.138030 -1.393881
C 3.342524 -0.218831 0.639818
C 4.399647 1.776484 -1.060964
C 4.552591 0.425805 0.974972
C 5.087628 1.420049 0.122901
H -3.836907 2.052017 -0.399829
H -2.245171 1.813462 -1.119125
H -2.079658 3.386064 0.713558
H -3.122319 -0.202998 1.003132
H -4.095730 2.682946 2.044784
H -3.214955 1.246711 2.643838
H -2.651044 2.877593 3.083424
H -0.300543 2.378975 2.140502
H -0.105575 1.841299 0.444186
H -0.801586 0.733013 1.663452
H -1.234285 -0.168821 -1.269876
H -0.267914 -2.388173 -1.927379
H -0.103208 -3.493667 -0.517120
H -4.015019 -2.298992 0.038745
H -5.511127 -2.106264 -0.925085
H 1.616129 -2.143161 0.293392
H 2.632038 1.405227 -2.298357
H 2.933489 -0.958913 1.338813
H 4.806450 2.551360 -1.719366
H 5.071906 0.160379 1.901992
H 6.027598 1.917880 0.384924


