%chk=000223358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223358

0 1
S 1.929856 -2.131459 0.297351
O -1.058514 1.415517 -1.774782
O 2.594246 -2.888397 1.346024
O 1.588376 -2.787289 -0.934078
N -1.863661 -1.025162 1.362833
N -0.354776 -0.206067 -0.334208
N 0.393524 -1.853586 1.165291
N 4.522012 3.090564 -0.435691
C -5.110942 0.934454 1.313507
C -5.114230 1.251024 -0.186907
C -4.205745 -0.270306 1.618752
C -3.704220 1.607982 -0.674906
C -2.892382 -0.162762 0.894911
C -2.659796 0.665906 -0.157499
C -1.342141 0.692576 -0.842764
C -0.603150 -1.007395 0.692813
C 2.666460 -0.634607 0.080381
C 3.592281 -0.161769 1.030179
C 2.365652 0.159816 -1.045827
C 4.204920 1.069735 0.881292
C 2.967073 1.397771 -1.219436
C 3.889697 1.868614 -0.253851
H -6.138594 0.727710 1.666066
H -4.759425 1.819038 1.880928
H -5.808448 2.085546 -0.399175
H -5.498631 0.382086 -0.756028
H -4.714772 -1.207773 1.302196
H -4.057767 -0.352965 2.714357
H -3.435953 2.641161 -0.364935
H -3.672618 1.619963 -1.787012
H -2.048435 -1.655849 2.136399
H 0.209156 -2.416430 2.003953
H 3.835490 -0.784354 1.901111
H 1.646864 -0.201335 -1.798140
H 4.922119 1.419775 1.616374
H 2.710844 2.002996 -2.086106
H 5.067970 3.498672 0.301988
H 4.208758 3.722203 -1.153063


%chk=000223358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223358

0 1
S 1.843481 -2.007923 0.292731
O -1.351416 1.440894 -1.866137
O 2.591283 -2.939388 1.401917
O 1.398869 -2.631397 -1.128922
N -1.979675 -0.913623 1.403732
N -0.526611 -0.104710 -0.315646
N 0.298853 -1.586831 1.300677
N 5.120604 3.012204 -0.408932
C -5.363399 0.834910 1.305534
C -5.408874 1.027170 -0.228390
C -4.371250 -0.290526 1.684977
C -4.028199 1.455658 -0.773147
C -3.067392 -0.156382 0.922371
C -2.895386 0.633227 -0.194089
C -1.566235 0.697683 -0.857281
C -0.743054 -0.850693 0.756229
C 2.795483 -0.427740 0.085480
C 3.878061 -0.222394 0.962741
C 2.451639 0.465990 -0.947125
C 4.657931 0.932970 0.793317
C 3.239115 1.616210 -1.106244
C 4.350205 1.869681 -0.242223
H -6.366617 0.588642 1.699866
H -5.046242 1.782482 1.783218
H -6.169434 1.784910 -0.493559
H -5.719995 0.076337 -0.705663
H -4.823858 -1.278655 1.459358
H -4.174813 -0.273835 2.776876
H -3.840600 2.526582 -0.553506
H -3.986942 1.377651 -1.875235
H -2.109232 -1.491310 2.236360
H 0.183270 -2.272550 2.055538
H 4.107939 -0.959689 1.738314
H 1.572207 0.284688 -1.570978
H 5.510852 1.113919 1.457491
H 2.985149 2.332343 -1.895566
H 5.916136 3.200347 0.194585
H 4.909245 3.678749 -1.146368


