%chk=000240176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240176

0 1
O -1.920468 1.807823 -4.491475
O -1.408318 -0.106828 2.165796
O -0.059146 1.038826 -3.717677
O -0.290251 1.716541 1.836424
O -5.841977 2.205345 -1.869641
O -5.766468 1.943217 0.280107
N 0.967414 0.008998 -0.121320
N 0.195184 0.452658 -1.233649
N -1.230150 1.401111 -3.578435
N -1.076484 0.851009 1.502584
N -5.261267 1.954757 -0.828575
C 1.017701 -1.458668 -0.013340
C 1.320755 -1.973920 1.299557
C 1.357510 -3.385270 1.463002
C -1.065418 0.936864 -1.069315
C 2.295715 0.646540 -0.173340
C 0.762295 -2.302373 -1.072335
C 1.575536 -1.142077 2.435860
C 1.079831 -4.242048 0.349949
C -1.817362 1.333223 -2.244539
C -1.761147 1.033274 0.191578
C 0.784826 -3.712244 -0.879048
C 1.668181 -3.934911 2.747353
C 3.401889 0.028564 -0.776670
C 2.412239 1.901467 0.443475
C -3.178366 1.664808 -2.149043
C -3.108790 1.331936 0.261065
C 1.867664 -1.696526 3.657189
C -3.827498 1.639776 -0.916779
C 1.919502 -3.111063 3.815518
C 4.639587 0.675013 -0.747184
C 3.657562 2.534091 0.462274
C 4.768263 1.925127 -0.131355
H 0.665190 0.497342 -2.180043
H 0.535594 -1.932848 -2.070578
H 1.517728 -0.055362 2.327501
H 1.104416 -5.320823 0.503186
H 0.566718 -4.356089 -1.731245
H 1.696605 -5.018041 2.857982
H 3.306945 -0.948910 -1.250505
H 1.540908 2.368628 0.915717
H -3.739747 1.945717 -3.062727
H -3.642748 1.349635 1.227665
H 2.055083 -1.063220 4.523978
H 2.154906 -3.521864 4.796919
H 5.507688 0.201981 -1.206763
H 3.760941 3.506624 0.944773
H 5.736830 2.424791 -0.113271


%chk=000240176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240176

0 1
O -2.012718 1.863678 -4.442058
O -1.476145 0.242273 2.563060
O 0.065268 1.961541 -3.505249
O 0.128501 1.574974 1.623631
O -5.942502 1.055318 -1.854328
O -5.793483 0.458262 0.349978
N 1.285536 0.197666 -0.359002
N 0.413318 0.929201 -1.168618
N -1.234363 1.755696 -3.422222
N -0.951178 0.861299 1.558637
N -5.269099 0.807257 -0.779212
C 0.964166 -1.188509 -0.102560
C 1.216609 -1.771495 1.197132
C 0.904646 -3.178225 1.377744
C -0.939132 1.071663 -0.980772
C 2.602191 0.755377 -0.244120
C 0.401317 -1.954784 -1.135865
C 1.740143 -1.034691 2.309977
C 0.330713 -3.929385 0.301270
C -1.792654 1.380217 -2.122441
C -1.646226 0.819335 0.258447
C 0.072475 -3.323971 -0.930631
C 1.159655 -3.793639 2.648322
C 3.743037 -0.088475 -0.237790
C 2.753015 2.164134 -0.161119
C -3.192780 1.299633 -2.051395
C -3.037063 0.704466 0.320173
C 1.964313 -1.663215 3.536479
C -3.802014 0.923678 -0.844737
C 1.684662 -3.054797 3.708475
C 5.027613 0.484566 -0.146205
C 4.045837 2.721823 -0.089369
C 5.188896 1.888711 -0.077781
H 0.772984 1.320045 -2.068608
H 0.231764 -1.500391 -2.117763
H 1.941583 0.033303 2.204683
H 0.092745 -4.987145 0.461142
H -0.363562 -3.900013 -1.752953
H 0.924536 -4.857091 2.772961
H 3.624238 -1.173511 -0.310211
H 1.865584 2.802215 -0.120677
H -3.795188 1.516131 -2.937882
H -3.525807 0.494689 1.275737
H 2.348157 -1.080156 4.380060
H 1.871011 -3.531435 4.676667
H 5.906334 -0.169281 -0.141125
H 4.158216 3.809373 -0.025318
H 6.190449 2.326285 -0.013968


