%chk=000185994.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185994

0 1
S 2.826657 -1.534820 0.530760
N -0.261489 1.029845 0.085167
N -0.194732 -1.255302 -0.143455
N 4.251147 0.446463 -0.312317
C -1.596429 0.591409 0.048803
C 0.553671 -0.130394 -0.042360
C -1.533960 -0.841109 -0.093121
C -2.829742 1.269489 0.121696
C 0.181019 2.416163 0.251487
C 1.991038 -0.120606 -0.046696
C -2.725740 -1.595479 -0.161041
C -3.976066 0.500211 0.052841
C -3.925419 -0.915460 -0.086730
C 2.905231 0.818374 -0.463352
C 4.371561 -0.761595 0.200373
H 1.102985 2.465116 0.861016
H 0.378808 2.888217 -0.729033
H -0.591072 3.014198 0.769302
H -2.868730 2.348662 0.224658
H -2.671584 -2.677494 -0.269457
H -4.953920 0.978696 0.104725
H -4.865647 -1.463322 -0.135718
H 2.696469 1.788547 -0.901925
H 5.315544 -1.256107 0.401175


%chk=000185994-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185994

0 1
S 2.840846 -1.705594 0.272811
N -0.262719 1.036763 0.052792
N -0.187313 -1.260123 -0.061068
N 4.287020 0.489486 -0.197501
C -1.596134 0.594330 0.021869
C 0.547649 -0.121746 -0.010458
C -1.526147 -0.840547 -0.043777
C -2.824947 1.287424 0.050582
C 0.158872 2.433081 0.195785
C 1.997756 -0.128346 -0.017815
C -2.714615 -1.608296 -0.079800
C -3.997313 0.503264 0.015403
C -3.943916 -0.922072 -0.048750
C 2.943402 0.875881 -0.245064
C 4.404521 -0.804815 0.060736
H 0.985446 2.511323 0.921350
H 0.480694 2.864942 -0.769696
H -0.687517 3.025494 0.577913
H -2.884677 2.380267 0.089645
H -2.662739 -2.699867 -0.129633
H -4.973520 1.000186 0.033713
H -4.881087 -1.488244 -0.075800
H 2.721908 1.914366 -0.486158
H 5.354129 -1.333455 0.139718


