%chk=000231227.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231227

0 1
O -0.545137 -0.318349 0.117334
O 0.469953 -1.916264 -1.104187
N 2.052713 -1.780610 1.444233
C 1.813064 -0.643283 0.522918
C 1.645327 0.682042 1.300960
C 2.943849 -0.379325 -0.510870
C 2.153338 1.798971 0.376546
C 2.959689 1.136015 -0.757967
C 0.543145 -1.055582 -0.254764
C -1.822089 -0.652232 -0.531779
C -2.806257 0.316772 0.111919
C -4.219129 0.114563 -0.448815
C -5.215709 1.079668 0.187789
H 2.220340 0.656328 2.243564
H 0.591261 0.840514 1.599625
H 2.786395 -0.947240 -1.445800
H 3.914942 -0.718368 -0.111724
H 2.770800 2.522036 0.934745
H 1.305079 2.372728 -0.037986
H 2.513642 1.375202 -1.739775
H 3.993169 1.519778 -0.789034
H 2.810827 -1.585119 2.090219
H 2.280668 -2.633237 0.936329
H -2.040035 -1.712669 -0.320502
H -1.696807 -0.505425 -1.617184
H -2.467436 1.359493 -0.050931
H -2.800333 0.178683 1.212392
H -4.548579 -0.929634 -0.276196
H -4.214015 0.254234 -1.548220
H -5.274148 0.942894 1.274031
H -4.941479 2.124996 0.004249
H -6.223947 0.929821 -0.215419


%chk=000231227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231227

0 1
O -0.378401 -0.335585 0.222630
O 0.362782 -2.489871 -0.221284
N 2.719197 -1.987888 1.072586
C 1.994788 -0.809719 0.574929
C 1.959743 0.344721 1.624929
C 2.639282 -0.086669 -0.676582
C 1.825849 1.687633 0.848981
C 2.081203 1.354835 -0.661663
C 0.602113 -1.319552 0.166780
C -1.748299 -0.750232 -0.215562
C -2.650819 0.476483 -0.089723
C -4.103820 0.164086 -0.522525
C -5.029109 1.393779 -0.402858
H 2.919997 0.301178 2.173327
H 1.158406 0.193239 2.366060
H 2.456892 -0.629985 -1.621587
H 3.733891 -0.082601 -0.501979
H 2.552799 2.431375 1.223489
H 0.818301 2.117268 0.977018
H 1.130670 1.401691 -1.221206
H 2.778559 2.068799 -1.135900
H 3.727059 -1.847127 1.176559
H 2.462260 -2.862212 0.603815
H -2.080208 -1.585250 0.428797
H -1.686149 -1.122661 -1.255035
H -2.243300 1.296136 -0.712783
H -2.640618 0.832521 0.958431
H -4.504681 -0.662392 0.098706
H -4.107061 -0.201860 -1.569373
H -5.069206 1.759720 0.640084
H -4.668149 2.225196 -1.036827
H -6.060870 1.152346 -0.716532


