%chk=000233724.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233724

0 1
O 2.900898 -1.893919 -2.501072
O -4.727635 -1.281541 -0.692270
N 1.508701 2.114198 1.150154
N -0.938115 2.401771 1.147795
C 3.148609 -2.508820 0.350728
C -2.048616 -2.002700 -0.945659
C 2.665836 -1.175327 -0.176166
C -2.463829 -0.688994 -0.315403
C 1.812628 1.084192 0.178114
C -1.938829 1.453516 0.749217
C 2.301253 -0.132858 0.680147
C -1.536754 0.232057 0.169104
C 1.691906 1.285025 -1.221342
C -3.316807 1.769704 0.843225
C 0.246111 1.895040 1.910040
C 2.559702 -0.945568 -1.561421
C -3.829454 -0.349131 -0.207852
C 2.102119 -3.135676 1.278630
C 4.505597 -2.361907 1.047131
C -1.127265 -1.762738 -2.146526
C -1.388108 -2.917837 0.093789
C 2.085469 0.263112 -2.089048
C -4.259379 0.855955 0.353744
C 1.136302 2.555644 -1.772233
C -3.791028 3.055568 1.442246
H 3.287463 -3.203423 -0.529643
H -2.975524 -2.519846 -1.318531
H 2.400548 -0.263687 1.758997
H -0.471822 0.003219 0.075408
H 0.354272 2.467227 2.864285
H 0.144654 0.816617 2.175240
H 1.506608 3.045705 0.714998
H -1.328790 3.246151 1.570255
H 2.060573 -2.626392 2.247661
H 2.319284 -4.190264 1.473401
H 1.091419 -3.072193 0.838146
H 5.252074 -1.922449 0.375081
H 4.886845 -3.329289 1.389442
H 4.441875 -1.705277 1.922961
H -1.603478 -1.107085 -2.884260
H -0.877427 -2.702671 -2.648797
H -0.181816 -1.287483 -1.855639
H -0.381985 -2.567755 0.375420
H -1.281860 -3.935233 -0.297099
H -1.988594 -2.973706 1.008322
H 2.023320 0.380053 -3.169330
H -5.319164 1.084745 0.412993
H 0.948869 2.499442 -2.852853
H 0.169555 2.801391 -1.296860
H 1.817927 3.401306 -1.609499
H -4.885831 3.095518 1.527578
H -3.394169 3.207018 2.455100
H -3.494257 3.915376 0.823536
H 3.214607 -2.737186 -2.060517
H -5.658189 -0.968697 -0.603268


%chk=000233724-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233724

0 1
O 5.204795 -1.726266 -1.741320
O -6.006705 -0.164717 -0.763703
N 0.700790 1.103049 0.173088
N -1.177159 1.639015 1.585828
C 4.381133 -2.232666 1.066306
C -3.579508 -1.477125 -1.550854
C 3.620664 -1.276547 0.138217
C -3.599204 -0.344898 -0.521040
C 1.825340 0.392176 -0.271451
C -2.388906 1.193639 1.005726
C 2.494459 -0.536056 0.572910
C -2.404582 0.124640 0.072117
C 2.304109 0.591194 -1.609651
C -3.616550 1.835682 1.359307
C 0.071758 0.909464 1.488106
C 4.075972 -1.063981 -1.190122
C -4.808496 0.299453 -0.159548
C 3.542741 -2.770053 2.247857
C 5.684913 -1.558165 1.587716
C -2.883801 -1.017173 -2.861851
C -2.909898 -2.760008 -0.993651
C 3.424481 -0.144185 -2.039786
C -4.809073 1.371369 0.762990
C 1.600932 1.563757 -2.537813
C -3.636948 2.981701 2.355128
H 4.679593 -3.129805 0.473656
H -4.629702 -1.717911 -1.794189
H 2.138551 -0.685078 1.595985
H -1.456726 -0.337984 -0.220764
H 0.739446 1.254985 2.308593
H -0.097659 -0.180217 1.644622
H 0.323828 1.862816 -0.391181
H -1.221138 2.414629 2.241614
H 3.284508 -1.962160 2.957915
H 4.118969 -3.527658 2.809872
H 2.603831 -3.236531 1.899744
H 6.310384 -1.179097 0.759010
H 6.287416 -2.268557 2.184811
H 5.430651 -0.696143 2.231103
H -3.383603 -0.127156 -3.284882
H -2.911317 -1.823130 -3.619119
H -1.823174 -0.759544 -2.678446
H -1.843495 -2.588657 -0.754997
H -2.958768 -3.574369 -1.740602
H -3.414299 -3.103800 -0.072627
H 3.809441 -0.018964 -3.057415
H -5.756892 1.859303 1.031824
H 2.072373 1.570805 -3.534281
H 0.532601 1.298013 -2.675039
H 1.633234 2.604054 -2.152497
H -4.664642 3.346926 2.518098
H -3.237744 2.677323 3.344478
H -3.035657 3.846772 2.007226
H 5.514557 -2.442882 -1.134075
H -6.779524 0.350616 -0.425345


