%chk=000202908.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202908

0 1
O 0.782135 0.251020 -1.955756
N -2.788835 0.780558 0.171959
C -0.315469 0.925607 0.018386
C 0.933085 0.159085 -0.522200
C -1.597599 0.329096 -0.610679
C 2.236363 0.834276 -0.100353
C 0.967855 -1.317543 -0.120466
C -0.220513 2.422030 -0.278590
C -4.065722 0.341164 -0.473472
C 2.778104 0.617294 1.173723
C 0.409944 -1.758046 1.087853
C 2.889359 1.700563 -0.989295
C 1.592867 -2.248866 -0.963125
C -5.248650 0.713587 0.434484
C -6.587126 0.371206 -0.232548
C 3.967368 1.250031 1.547962
C 0.470853 -3.108486 1.443540
C 4.078945 2.329375 -0.614113
C 1.652619 -3.598596 -0.608178
C 4.621617 2.104040 0.655077
C 1.091171 -4.032033 0.597015
C -7.770166 0.731514 0.663242
H -0.339909 0.785139 1.128158
H -1.517243 -0.777086 -0.681829
H -1.689006 0.696652 -1.658444
H -1.166764 2.921147 -0.024273
H -0.032505 2.602836 -1.344724
H 0.580211 2.904415 0.290494
H -2.735829 0.401798 1.123552
H -4.086907 -0.745596 -0.705222
H -4.151242 0.876531 -1.445783
H 1.499535 -0.234204 -2.417065
H 2.280636 -0.048253 1.877945
H -0.078474 -1.048291 1.756625
H 2.453024 1.893343 -1.971417
H 2.033500 -1.918126 -1.904376
H -5.167114 0.193992 1.407596
H -5.206296 1.796655 0.670066
H -6.674074 0.907895 -1.198093
H -6.621735 -0.707608 -0.480959
H 4.384229 1.075386 2.538310
H 0.033061 -3.440847 2.383578
H 4.580977 2.999266 -1.309959
H 2.138714 -4.312938 -1.270937
H 5.548178 2.593851 0.947415
H 1.137748 -5.083215 0.874635
H -7.784518 1.801817 0.900164
H -7.738606 0.187012 1.613671
H -8.722396 0.490552 0.177708


%chk=000202908-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202908

0 1
O 0.771893 0.158394 -2.068010
N -2.811033 0.704396 0.137068
C -0.333826 0.859609 -0.052908
C 0.924866 0.097722 -0.587487
C -1.642738 0.309221 -0.684063
C 2.225944 0.818603 -0.159598
C 1.009404 -1.388833 -0.152122
C -0.254596 2.385955 -0.283883
C -4.126232 0.369527 -0.451953
C 2.719452 0.677346 1.162975
C 0.124203 -1.999726 0.769521
C 2.924154 1.654737 -1.063277
C 2.057112 -2.182612 -0.694336
C -5.279362 0.821548 0.465248
C -6.674215 0.471341 -0.100444
C 3.884647 1.360557 1.573378
C 0.262707 -3.363455 1.117351
C 4.097965 2.330551 -0.657578
C 2.195197 -3.545314 -0.358502
C 4.582309 2.188619 0.662451
C 1.291980 -4.145643 0.549726
C -7.825532 0.925196 0.822852
H -0.369094 0.688830 1.044769
H -1.575405 -0.792193 -0.841380
H -1.758490 0.754842 -1.688413
H -1.228943 2.829260 -0.014241
H -0.049398 2.604521 -1.346980
H 0.533772 2.860284 0.325151
H -2.735231 0.336807 1.098200
H -4.237554 -0.724599 -0.670246
H -4.204059 0.892352 -1.426352
H 1.391183 -0.496528 -2.480176
H 2.198356 0.020608 1.869924
H -0.680369 -1.418955 1.230996
H 2.530179 1.778619 -2.076956
H 2.803614 -1.722503 -1.356481
H -5.163672 0.346205 1.463592
H -5.196954 1.914173 0.626078
H -6.792085 0.942249 -1.097772
H -6.739886 -0.623877 -0.264014
H 4.253387 1.241152 2.598668
H -0.435242 -3.813071 1.832825
H 4.628679 2.973109 -1.369710
H 3.012878 -4.133085 -0.790537
H 5.490570 2.714293 0.978243
H 1.396910 -5.202658 0.817989
H -7.798341 2.019862 0.980359
H -7.751209 0.442492 1.815811
H -8.812496 0.669068 0.395546


