%chk=000194405.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194405

0 1
O 3.798267 1.090428 0.016560
O 4.886427 -1.148606 2.059373
O 5.809534 -1.490621 -0.249819
O 3.744314 1.347605 -3.041391
N 1.778383 0.393656 1.021667
N -0.365274 1.217955 1.202969
N 1.276249 -1.626676 -0.378906
N -2.780388 -0.367122 -0.124385
N -1.105849 -1.851548 -0.883462
C 3.847428 -1.054936 1.103193
C 3.249607 0.382277 1.133369
C 4.405304 -1.216197 -0.340831
C 4.311857 0.175963 -0.998284
C 3.383754 0.235983 -2.217385
C 0.947346 -0.483918 0.310149
C 0.909450 1.428699 1.524936
C -0.391459 0.033280 0.444329
C -1.447610 -0.699263 -0.185106
C 0.197700 -2.246453 -0.936087
C -3.801064 -1.138244 -0.897249
C -3.253241 0.848178 0.520542
C -3.727611 1.909824 -0.265210
C -3.276586 0.910643 1.922584
C -3.849966 -0.710550 -2.339915
C -4.231375 3.047454 0.369867
C -3.781683 2.058826 2.537940
C -4.260758 3.122966 1.766472
C -4.987574 -0.487462 -2.992217
H 3.127801 -1.848013 1.404576
H 3.561455 0.976303 2.027356
H 3.890831 -2.019737 -0.905935
H 5.322084 0.590890 -1.236030
H 2.321396 0.317451 -1.923224
H 3.522902 -0.631250 -2.891806
H 5.724586 -0.736264 1.703421
H 5.953299 -2.415332 0.059792
H 1.299227 2.257887 2.099837
H 3.577624 2.188655 -2.559616
H 0.395983 -3.173153 -1.502531
H -3.548554 -2.230189 -0.850081
H -4.783688 -1.013168 -0.387235
H -3.698775 1.849122 -1.352623
H -2.883829 0.088405 2.518887
H -2.872124 -0.625307 -2.821602
H -4.597651 3.880904 -0.228416
H -3.796545 2.124481 3.625273
H -4.651507 4.014434 2.254072
H -5.022216 -0.211204 -4.037445
H -5.969179 -0.565156 -2.547074


%chk=000194405-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194405

0 1
O 3.712903 1.142836 -0.293534
O 5.026780 -0.643879 2.001099
O 5.706504 -1.870561 -0.250089
O 4.391681 1.582890 -3.030097
N 1.727083 0.492701 0.914310
N -0.424247 1.185678 1.330268
N 1.260783 -1.408670 -0.616114
N -2.842285 -0.411538 -0.022301
N -1.140733 -1.730298 -0.981065
C 3.892077 -0.833453 1.104317
C 3.193951 0.538769 0.946575
C 4.403781 -1.184498 -0.329143
C 4.614661 0.184897 -1.004042
C 4.234695 0.233271 -2.486052
C 0.892497 -0.354595 0.172822
C 0.874831 1.396244 1.576822
C -0.439167 0.087794 0.442491
C -1.495493 -0.656744 -0.183762
C 0.172518 -2.042314 -1.146435
C -3.839781 -1.348340 -0.634575
C -3.355830 0.813342 0.559761
C -3.178833 2.047482 -0.106305
C -4.087345 0.754326 1.768214
C -4.168368 -0.983016 -2.069297
C -3.720041 3.226469 0.448784
C -4.633370 1.935424 2.316225
C -4.449209 3.174369 1.659229
C -5.391654 -0.579137 -2.491477
H 3.206544 -1.601873 1.506512
H 3.476709 1.183897 1.796504
H 3.640909 -1.784777 -0.853727
H 5.657464 0.523495 -0.855696
H 3.192800 -0.132395 -2.606325
H 4.919077 -0.404503 -3.071406
H 5.797503 -1.120698 1.577814
H 5.579080 -2.847608 -0.333827
H 1.267521 2.179423 2.222518
H 3.872044 2.195724 -2.447890
H 0.379386 -2.904773 -1.787828
H -3.402373 -2.360683 -0.599788
H -4.748073 -1.316306 -0.008415
H -2.620546 2.078338 -1.047692
H -4.203876 -0.205628 2.283526
H -3.332845 -1.076175 -2.776423
H -3.577088 4.183076 -0.065651
H -5.191468 1.890333 3.257931
H -4.870131 4.090916 2.087165
H -5.586321 -0.338270 -3.542658
H -6.236404 -0.479061 -1.797974


