%chk=000262396.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262396

0 1
S 4.199076 -0.162010 -1.463639
O -1.584418 2.697474 -0.072831
O -3.282109 -1.601769 -0.017640
N -0.990368 -1.411450 0.054608
N 1.222169 1.403980 0.050958
N -2.437103 0.554653 -0.047470
N 1.461685 -0.875977 0.117430
C -0.069786 0.851791 0.022594
C 0.107911 -0.558268 0.064410
C 2.114809 0.337163 0.107802
C 3.595674 0.495636 0.134787
C -1.356567 1.505848 -0.036689
C -2.314068 -0.866464 -0.006439
C -0.800151 -2.881599 0.088717
C 4.233347 -0.242473 1.295263
C -3.832264 1.073030 -0.111027
H 1.411041 2.391481 0.010537
H 3.894731 1.575602 0.153742
H -1.781913 -3.390703 0.147799
H -0.194734 -3.167497 0.967330
H -0.277088 -3.221788 -0.822501
H 3.939031 0.191597 2.261110
H 3.937396 -1.303361 1.327826
H 5.330844 -0.212602 1.241410
H -3.822909 2.179499 -0.128822
H -4.408752 0.734066 0.767142
H -4.338111 0.705349 -1.020617
H 3.644928 -1.396605 -1.407893


%chk=000262396-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262396

0 1
S 4.286693 0.610939 -1.493881
O -1.584516 2.744947 -0.328961
O -3.341419 -1.621246 0.076476
N -1.010348 -1.383167 0.216671
N 1.187895 1.396079 0.039758
N -2.447076 0.536744 -0.125121
N 1.410685 -0.847819 0.331928
C -0.102114 0.864030 0.000770
C 0.070007 -0.515992 0.185501
C 2.071733 0.343396 0.235527
C 3.558088 0.507665 0.295429
C -1.380122 1.503142 -0.165739
C -2.324041 -0.872808 0.057923
C -0.807991 -2.831777 0.410801
C 4.250534 -0.590389 1.115733
C -3.832828 1.035022 -0.285810
H 1.417071 2.380084 -0.102876
H 3.812731 1.507690 0.690477
H -1.798458 -3.309181 0.403412
H -0.302311 -3.018055 1.373034
H -0.183591 -3.239770 -0.401707
H 3.911257 -0.554435 2.167529
H 3.999893 -1.587950 0.718957
H 5.343423 -0.451151 1.085950
H -3.775577 2.126623 -0.407062
H -4.433603 0.774568 0.600700
H -4.301826 0.571710 -1.169120
H 3.908112 -0.674296 -1.848401


