%chk=000290109.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290109

0 1
S -5.482753 -1.477950 -0.660656
O 1.400737 -0.652550 1.179023
O 1.358693 2.584345 0.901258
O 1.810135 0.603713 -1.941989
O 4.860459 -0.000695 0.158052
O 4.699546 -2.092211 -0.782991
N -0.838931 -0.275083 0.700190
N -2.349120 -1.936969 0.196467
N -2.346661 1.705667 0.369652
N -4.605343 1.036369 -0.289770
N 6.455544 -0.646239 -1.300962
C 0.878050 1.477778 0.144982
C 2.104739 0.868968 -0.583139
C 0.414041 0.382809 1.148999
C 2.452477 -0.418615 0.194098
C 3.736003 -0.294855 1.025703
C -2.044878 0.367086 0.395492
C -1.090766 -1.682673 0.567461
C -2.983492 -0.689255 0.078528
C -4.290412 -0.278383 -0.266735
C 5.282186 -1.034385 -0.678699
C -3.633428 1.964752 0.024776
C -6.969328 -0.533829 -1.029881
H 0.089582 1.803882 -0.568409
H 2.953727 1.594734 -0.642634
H 0.307439 0.746724 2.200219
H 2.469119 -1.327755 -0.452492
H 3.935095 -1.218596 1.599462
H 3.733012 0.586376 1.697022
H 0.636347 3.247340 1.020353
H 1.100092 -0.070367 -2.040811
H -0.306055 -2.407705 0.762647
H -3.944258 3.022067 -0.012015
H 6.789737 0.302716 -1.221062
H 6.791636 -1.186569 -2.086141
H -6.821306 0.154063 -1.873917
H -7.295535 0.071943 -0.172922
H -7.766127 -1.243650 -1.286156


%chk=000290109-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290109

0 1
S -5.650966 -1.419416 -0.781126
O 1.413844 -0.821333 1.027142
O 1.570351 2.377510 0.847345
O 1.297512 0.098737 -2.048588
O 4.878426 0.285939 0.031272
O 5.363762 -2.026938 0.002363
N -0.876750 -0.406243 0.515356
N -2.423796 -1.995712 -0.090540
N -2.330446 1.604741 0.503547
N -4.636043 1.060238 -0.128955
N 6.686208 -0.450505 -1.134620
C 0.876647 1.349813 0.070111
C 1.917691 0.640329 -0.835675
C 0.382826 0.208069 1.011190
C 2.516405 -0.451208 0.071625
C 3.722299 0.006654 0.912977
C -2.085284 0.272482 0.342727
C -1.144081 -1.765311 0.258412
C -3.032983 -0.729075 -0.040967
C -4.355252 -0.267175 -0.281868
C 5.633792 -0.851384 -0.345920
C -3.635402 1.916294 0.249664
C -7.103491 -0.231565 -0.936862
H 0.054021 1.776638 -0.527356
H 2.678548 1.348122 -1.192978
H 0.218930 0.574510 2.040643
H 2.772833 -1.363467 -0.493137
H 3.982396 -0.785003 1.635433
H 3.515032 0.960989 1.419228
H 0.901742 3.005345 1.220483
H 0.653437 -0.618075 -1.811536
H -0.369221 -2.520308 0.359888
H -3.918235 2.967020 0.358438
H 6.822473 0.533513 -1.353041
H 7.322225 -1.156093 -1.494942
H -6.881867 0.527957 -1.698832
H -7.290608 0.255443 0.029759
H -7.956975 -0.858530 -1.237655


