%chk=000233495.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233495

0 1
O 5.997906 1.249646 0.712254
O -4.702409 -0.106073 0.448178
O -2.602308 -3.319222 0.761842
O -4.446218 -2.484059 0.013186
O -3.060488 3.619342 -0.201367
O -4.809515 2.429926 0.249355
N -3.273750 -2.400872 0.313918
N -3.599826 2.551780 0.001987
C 3.704811 0.660112 0.198126
C 3.113157 -0.602076 -0.512451
C 1.651322 -0.800539 -0.099925
C 0.851339 0.427963 -0.622210
C 5.196458 0.545253 -0.247243
C 2.949397 1.890192 -0.332218
C 4.143582 -1.708388 -0.227585
C 1.440491 1.745108 -0.065160
C 5.505600 -0.975139 -0.242396
C 1.035886 -2.073761 -0.691105
C 3.634792 0.611435 1.728450
C -0.629786 0.279174 -0.323033
C -0.393170 -2.254512 -0.178754
C -1.215638 -1.007245 -0.132578
C -1.427702 1.410299 -0.289093
C -2.603521 -1.103559 0.114841
C -2.817631 1.336511 -0.037016
C -3.414310 0.067916 0.173988
H 3.129298 -0.421246 -1.618923
H 1.577733 -0.846727 1.013241
H 0.949642 0.456086 -1.740645
H 5.376646 1.002765 -1.240019
H 3.135293 2.028499 -1.412717
H 3.329774 2.808059 0.157126
H 4.105275 -2.509865 -0.980966
H 3.962974 -2.186839 0.749920
H 1.255659 1.799988 1.026983
H 0.915219 2.613127 -0.509775
H 6.099969 -1.235169 0.650978
H 6.106303 -1.264867 -1.117058
H 1.642028 -2.959473 -0.416461
H 1.048017 -2.036738 -1.797670
H 4.234409 1.429068 2.157679
H 2.612739 0.709301 2.104233
H 4.055769 -0.318406 2.125287
H -0.376360 -2.696042 0.852853
H -0.902532 -3.046054 -0.778786
H 6.942076 1.187506 0.477572
H -0.995588 2.410088 -0.459156
H -5.247111 0.795329 0.479313


%chk=000233495-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233495

0 1
O 6.109506 1.403314 0.433695
O -4.833839 -0.131422 0.368537
O -2.943552 -3.133903 1.203254
O -4.112532 -2.771669 -0.724528
O -3.104596 3.688461 -0.036152
O -4.964861 2.413234 0.297837
N -3.283215 -2.413238 0.188144
N -3.661842 2.540802 0.090330
C 3.752269 0.651554 0.206072
C 3.129162 -0.615915 -0.458642
C 1.650043 -0.806012 -0.082694
C 0.855678 0.449074 -0.565438
C 5.209071 0.513087 -0.309690
C 2.988469 1.894809 -0.304834
C 4.151734 -1.747395 -0.164220
C 1.463527 1.780951 -0.034476
C 5.537034 -1.009319 -0.153435
C 1.015574 -2.064999 -0.706742
C 3.747806 0.607049 1.756877
C -0.647233 0.303402 -0.287269
C -0.419560 -2.272581 -0.185720
C -1.249052 -0.996819 -0.146215
C -1.474196 1.435477 -0.204678
C -2.644060 -1.077013 0.056062
C -2.867120 1.326639 0.008819
C -3.500749 0.049255 0.139582
H 3.153977 -0.436448 -1.559691
H 1.563025 -0.888838 1.021854
H 0.976403 0.467833 -1.674362
H 5.228621 0.787819 -1.389417
H 3.156001 1.998136 -1.398153
H 3.380647 2.814662 0.168361
H 4.111868 -2.547171 -0.924644
H 3.946989 -2.219280 0.815348
H 1.258418 1.870276 1.050095
H 0.968734 2.643828 -0.519102
H 6.060656 -1.161216 0.808346
H 6.204174 -1.370138 -0.957352
H 1.614486 -2.962113 -0.464929
H 1.014752 -1.965439 -1.811462
H 4.358567 1.439983 2.143473
H 2.729829 0.701709 2.171474
H 4.183107 -0.329142 2.148082
H -0.387822 -2.680486 0.844491
H -0.940078 -3.043581 -0.785877
H 7.023680 1.323685 0.063266
H -1.065275 2.443651 -0.299421
H -5.258525 0.803049 0.402146


