%chk=000287794.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287794

0 1
O 3.355693 -0.307842 -1.017717
O -1.281526 1.798630 0.482797
N 2.790345 -0.023763 0.112963
N -0.007056 0.295293 -0.745408
N -1.999531 -0.405840 0.417686
C 0.605551 -1.061975 -0.630047
C 1.711133 -1.067292 0.458211
C -0.438154 -2.153661 -0.317742
C 2.119639 1.361612 0.067442
C 1.006687 1.357901 -0.991148
C -1.882614 -1.641247 -0.407506
C -1.111463 0.652359 0.090234
C 3.822843 -0.018568 1.239272
C -3.369598 -0.021603 0.859637
C -4.309415 0.338534 -0.288226
H 1.097136 -1.264649 -1.626509
H 1.286662 -0.866958 1.459436
H 2.196593 -2.065464 0.480993
H -0.271385 -2.575766 0.694281
H -0.304138 -2.999715 -1.019999
H 2.890323 2.112215 -0.209712
H 1.719425 1.635009 1.063088
H 0.502390 2.351903 -1.016943
H 1.450393 1.165025 -2.000084
H -2.157865 -1.446682 -1.469219
H -2.588685 -2.405383 -0.017441
H 4.327571 -0.997427 1.280631
H 4.612905 0.714599 1.006425
H 3.386250 0.212348 2.215493
H -3.777689 -0.866724 1.455868
H -3.263852 0.851325 1.551254
H -3.912162 1.176374 -0.878871
H -4.475719 -0.498146 -0.973707
H -5.288588 0.653080 0.092168


%chk=000287794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287794

0 1
O 3.117207 -0.202397 -1.398263
O -1.651661 1.941107 0.435009
N 2.877958 -0.042463 0.002829
N 0.018419 0.398400 -0.121853
N -2.219987 -0.324584 0.260140
C 0.555422 -0.972635 -0.300185
C 1.876908 -1.109368 0.479836
C -0.455139 -2.031439 0.176352
C 2.266301 1.349844 0.286851
C 0.952720 1.480338 -0.485866
C -1.870575 -1.648044 -0.286476
C -1.306742 0.734248 0.203469
C 4.185489 -0.191009 0.757878
C -3.634976 -0.013068 0.546281
C -4.474783 0.249964 -0.723959
H 0.809988 -1.121989 -1.370115
H 1.705057 -0.990715 1.567209
H 2.349482 -2.080924 0.261468
H -0.451915 -2.102540 1.280851
H -0.168723 -3.017169 -0.233119
H 3.006096 2.078352 -0.081151
H 2.111692 1.463731 1.376223
H 0.462505 2.439430 -0.253001
H 1.190322 1.428603 -1.565881
H -1.922598 -1.657410 -1.397234
H -2.608856 -2.382217 0.084329
H 4.585886 -1.187340 0.519606
H 4.870280 0.573639 0.362789
H 4.044717 -0.069548 1.848301
H -4.061526 -0.857065 1.123491
H -3.645346 0.885517 1.184816
H -4.070472 1.119558 -1.269992
H -4.477615 -0.623629 -1.402033
H -5.523435 0.470323 -0.451002


