%chk=000230986.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230986

0 1
O 0.951838 -3.520163 -0.447606
O -0.631786 -3.266056 1.000688
O 3.444748 2.193495 -0.184907
O 4.208779 0.171076 -0.074717
N 0.208834 -2.834591 0.231502
N 3.302611 0.984705 -0.103664
C -1.591614 1.964983 0.042092
C -2.977701 1.333398 -0.224526
C -2.144499 -1.029844 0.102862
C -3.164127 0.030733 0.548065
C -0.477249 0.911210 0.017185
C -0.733637 -0.478017 0.091789
C -1.335549 3.025878 -1.045648
C -1.575217 2.628642 1.432276
C -2.477548 -1.586446 -1.287470
C 0.371995 -1.361371 0.119992
C 0.842570 1.370216 -0.035011
C 1.918132 0.467983 -0.032210
C 1.694610 -0.907717 0.039419
H -3.104357 1.144751 -1.309333
H -3.773916 2.053666 0.043801
H -2.202121 -1.875607 0.847494
H -3.063865 0.210998 1.637180
H -4.192256 -0.355415 0.404500
H -0.443114 3.627927 -0.840047
H -1.203474 2.570550 -2.033414
H -2.173915 3.728728 -1.118581
H -0.617230 3.113955 1.647087
H -2.349734 3.399546 1.514146
H -1.756215 1.898183 2.229192
H -2.399017 -0.818392 -2.066217
H -1.818578 -2.414574 -1.571895
H -3.503555 -1.975444 -1.315921
H 1.059302 2.447739 -0.083096
H 2.539655 -1.614026 0.030097


%chk=000230986-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230986

0 1
O 1.031698 -3.564141 -0.520468
O -0.613984 -3.340162 1.036832
O 3.492813 2.251816 -0.147474
O 4.286295 0.113284 -0.092606
N 0.245202 -2.848262 0.209394
N 3.324829 0.972830 -0.093160
C -1.594555 1.986039 0.040987
C -2.985788 1.349373 -0.233162
C -2.170532 -1.041629 0.113552
C -3.193453 0.037208 0.539412
C -0.476702 0.915952 0.028797
C -0.742603 -0.491356 0.111720
C -1.342915 3.070849 -1.046370
C -1.591741 2.671760 1.443250
C -2.512748 -1.642106 -1.284496
C 0.389376 -1.364234 0.112469
C 0.863649 1.368711 -0.017226
C 1.933658 0.458730 -0.026209
C 1.720857 -0.927096 0.023937
H -3.094002 1.161708 -1.319476
H -3.766219 2.085742 0.037243
H -2.216317 -1.869822 0.840679
H -3.107899 0.219772 1.628118
H -4.213391 -0.353650 0.364930
H -0.450445 3.686437 -0.837160
H -1.222729 2.616763 -2.046800
H -2.209945 3.755953 -1.083237
H -0.604768 3.113490 1.671229
H -2.341989 3.483588 1.464868
H -1.832567 1.956233 2.249372
H -2.480897 -0.874782 -2.078220
H -1.814529 -2.448754 -1.569282
H -3.529043 -2.074180 -1.260447
H 1.098154 2.435235 -0.056860
H 2.556031 -1.630602 0.000970


