%chk=000235981.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235981

0 1
O -1.986251 0.071022 0.069995
O -1.004240 -3.132392 -0.899858
N -0.033283 -3.115643 1.142434
C -0.060973 1.320802 -0.328912
C 2.124502 0.273674 -0.612526
C -0.928023 2.544759 -0.250615
C 3.601925 0.417629 -0.850751
C 1.308043 1.423466 -0.533412
C -0.639317 0.022124 -0.189624
C 0.162038 -1.122978 -0.235814
C -0.919459 3.138685 1.167847
C 1.548219 -0.982633 -0.458872
C 4.354724 0.642511 0.471220
C -1.763830 4.407010 1.251110
C 5.855954 0.796332 0.245953
C -0.353940 -2.512269 -0.072334
C -2.849877 -1.023766 -0.384001
C -4.190058 -0.373620 -0.526608
C -5.268946 -1.027899 -0.947246
H -1.971613 2.288022 -0.539670
H -0.592455 3.302703 -0.985710
H 3.799875 1.258969 -1.545937
H 4.004183 -0.478472 -1.365484
H 1.764092 2.408747 -0.641890
H -1.301257 2.382500 1.883412
H 0.120815 3.355167 1.478876
H 2.167073 -1.879121 -0.515506
H 4.160274 -0.203856 1.158877
H 3.954522 1.541886 0.979767
H -1.758107 4.819027 2.266674
H -2.809247 4.213845 0.983349
H -1.392064 5.187711 0.578102
H 6.289433 -0.094346 -0.223320
H 6.083584 1.650561 -0.402081
H 6.383574 0.955840 1.193457
H -2.832904 -1.797873 0.405022
H -2.466132 -1.443059 -1.336266
H -0.312243 -4.066521 1.325536
H 0.491985 -2.648792 1.859820
H -4.205897 0.685715 -0.252590
H -6.238765 -0.561874 -1.049043
H -5.271635 -2.073092 -1.224481


%chk=000235981-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235981

0 1
O -1.995643 0.151061 -0.552231
O -1.283313 -2.816065 -1.557026
N 0.215125 -3.468894 0.082619
C 0.036140 1.357163 -0.657464
C 2.260222 0.261354 -0.616576
C -0.799908 2.625558 -0.677514
C 3.777041 0.369447 -0.597298
C 1.443099 1.420370 -0.674082
C -0.597353 0.074884 -0.591746
C 0.192028 -1.113915 -0.579021
C -1.258428 3.071591 0.740205
C 1.612435 -0.988339 -0.573335
C 4.348624 0.644863 0.822277
C -2.125851 4.347307 0.695704
C 5.887259 0.764916 0.826090
C -0.371843 -2.503625 -0.728456
C -2.832553 -0.939016 0.011243
C -4.089741 -0.300951 0.538808
C -5.336823 -0.710888 0.199991
H -1.700721 2.473813 -1.299315
H -0.211016 3.444876 -1.134878
H 4.108199 1.184821 -1.271073
H 4.229503 -0.564681 -0.985077
H 1.918408 2.408512 -0.735071
H -1.830622 2.245589 1.203701
H -0.367185 3.241655 1.376318
H 2.219154 -1.901949 -0.604850
H 4.031411 -0.169432 1.503614
H 3.897576 1.575386 1.220243
H -2.443171 4.654665 1.709260
H -3.036547 4.182676 0.089840
H -1.570730 5.191852 0.244762
H 6.360400 -0.165096 0.457772
H 6.223063 1.592254 0.172616
H 6.272995 0.960291 1.843355
H -2.265305 -1.430601 0.830817
H -3.035055 -1.687468 -0.772737
H -0.064163 -4.441271 -0.044470
H 0.885044 -3.227217 0.810275
H -3.949519 0.526237 1.249052
H -6.230785 -0.248302 0.632487
H -5.497154 -1.522931 -0.519929


