%chk=000201174.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201174

0 1
O -2.808771 0.479772 2.432874
O -3.293878 0.443495 -2.487724
O -4.366908 1.295261 0.120963
N 0.591561 -2.732381 0.695607
N 1.763555 0.351842 -1.170606
C 0.460290 -1.751446 -0.437566
C 1.654179 -0.842441 -0.427629
C 2.835943 -1.080752 0.261912
C 3.006925 -2.260184 1.145204
C 1.956534 -3.338531 0.797662
C 3.736690 0.002621 -0.031659
C 3.036966 0.893614 -0.921263
C -0.824725 -0.954504 -0.258790
C 5.051252 0.318447 0.355734
C 3.632023 2.073096 -1.412354
C -1.544433 -0.588465 -1.401001
C -1.250687 -0.549796 1.009288
C 5.630631 1.478440 -0.130478
C 4.926096 2.346178 -1.005393
C -2.425645 0.201913 1.134113
C -2.729301 0.161930 -1.272325
C -3.198187 0.547453 0.002440
C -3.117640 1.872395 2.716567
C -4.484740 1.272361 -2.529150
C -5.465975 0.528301 0.696324
H 0.434996 -2.279197 -1.434570
H 4.026368 -2.682709 1.061284
H 2.881509 -1.941650 2.203853
H 2.264451 -3.867102 -0.130444
H 1.916376 -4.094387 1.612183
H -0.110435 -3.471112 0.577905
H 1.021480 0.786497 -1.685227
H 5.590232 -0.345615 1.026902
H -1.224847 -0.881754 -2.398254
H -0.675347 -0.815927 1.900670
H 3.091060 2.733987 -2.080298
H 6.645757 1.742665 0.156764
H 5.426285 3.246938 -1.358390
H -2.182696 2.440529 2.720952
H -3.551736 1.810705 3.720130
H -3.827801 2.282116 1.989326
H -4.586032 1.462874 -3.603572
H -4.331146 2.197350 -1.961612
H -5.334369 0.710462 -2.132894
H -5.726566 -0.301068 0.034764
H -6.266149 1.272340 0.748620
H -5.188246 0.163439 1.691660


%chk=000201174-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201174

0 1
O -2.892828 0.532258 2.417909
O -3.539658 0.239177 -2.502122
O -4.526608 1.118124 0.130417
N 0.632975 -2.777870 0.647612
N 1.745479 0.337981 -1.105127
C 0.453433 -1.792644 -0.445535
C 1.659281 -0.876875 -0.409460
C 2.843109 -1.109016 0.285541
C 3.039345 -2.348268 1.123788
C 1.977887 -3.401069 0.715474
C 3.714189 0.021281 0.024780
C 2.995941 0.916844 -0.852162
C -0.863222 -1.023215 -0.284107
C 5.027731 0.372060 0.435178
C 3.550891 2.130689 -1.309799
C -1.630907 -0.696932 -1.422185
C -1.281649 -0.580534 0.993225
C 5.586735 1.582902 -0.020617
C 4.856380 2.453647 -0.882565
C -2.472241 0.156147 1.119933
C -2.836480 0.041514 -1.304379
C -3.286377 0.445865 -0.016834
C -2.980566 1.993411 2.646396
C -4.286118 1.497321 -2.706243
C -5.557304 0.309312 0.829493
H 0.424025 -2.284018 -1.454677
H 4.052402 -2.774543 0.983153
H 2.929844 -2.113119 2.201180
H 2.283624 -3.852465 -0.261020
H 1.939192 -4.213478 1.463367
H -0.132228 -3.462368 0.664907
H 0.979677 0.762681 -1.625445
H 5.598842 -0.287420 1.098837
H -1.334529 -1.029886 -2.423572
H -0.685416 -0.814567 1.878990
H 2.994890 2.802237 -1.974003
H 6.599249 1.865259 0.289560
H 5.318368 3.388631 -1.219314
H -1.978101 2.451843 2.549703
H -3.344184 2.105439 3.679229
H -3.683005 2.462863 1.934527
H -4.501066 1.518027 -3.786154
H -3.667228 2.369790 -2.424191
H -5.216251 1.512763 -2.117843
H -5.785075 -0.602942 0.246867
H -6.447712 0.954266 0.887945
H -5.209833 0.036896 1.841848


