%chk=000256155.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256155

0 1
S 2.555450 -0.941453 -0.707300
O -2.995490 1.046544 -0.384825
O -1.611135 -1.920876 -2.153838
O -1.919586 2.081349 1.345961
O -1.575366 -1.636940 0.125443
N 0.507276 1.225145 0.234998
N -0.715690 1.125147 -0.485252
N -0.818964 0.028262 -1.374570
C 1.571209 1.627015 -0.683893
C 0.831048 0.131877 1.149761
C 2.560346 0.752360 -1.155976
C 1.738805 -0.891577 0.843426
C 1.594056 2.979921 -1.067464
C 0.222925 0.164143 2.416954
C 3.571103 1.209457 -2.004093
C 2.024025 -1.897972 1.768043
C 2.603427 3.433801 -1.918108
C 0.506917 -0.842904 3.340825
C 3.585428 2.553065 -2.388884
C 1.395604 -1.875457 3.016426
C -1.886060 1.446001 0.324347
C -1.381621 -1.213772 -0.992531
C -4.283192 1.118110 0.320840
C -4.341735 0.015123 1.353716
C -2.035227 -3.316659 -2.002579
C -3.492831 -3.374662 -1.600509
H 0.823865 3.659393 -0.696898
H -0.466999 0.977634 2.668703
H 4.343972 0.528834 -2.363686
H 2.729133 -2.693306 1.524823
H 2.626197 4.481556 -2.216799
H 0.030423 -0.824380 4.320609
H 4.367606 2.917448 -3.053728
H 1.603168 -2.661380 3.741386
H -0.945670 0.336766 -2.351812
H -4.974583 0.968927 -0.529198
H -4.392854 2.129066 0.750026
H -3.844213 0.304831 2.290567
H -3.819968 -0.890660 0.997299
H -5.371940 -0.265785 1.596515
H -1.368296 -3.808596 -1.272612
H -1.845344 -3.688269 -3.027085
H -4.118983 -2.761375 -2.261465
H -3.635823 -2.996824 -0.576121
H -3.877410 -4.400825 -1.630644


%chk=000256155-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256155

0 1
S 3.965162 0.066101 0.251255
O -2.674055 1.032998 -0.357778
O -1.973947 -2.477672 -2.239447
O -1.101162 1.894606 1.167875
O -2.044914 -2.185384 0.103214
N 0.834315 0.269067 -0.057842
N -0.531557 0.201791 -0.363439
N -0.945789 -0.682868 -1.353822
C 1.590071 1.247488 -0.789553
C 1.291282 -0.416556 1.123047
C 3.006543 1.309581 -0.691199
C 2.675031 -0.499492 1.427193
C 0.937383 2.166685 -1.652518
C 0.366261 -1.029832 2.002960
C 3.733376 2.287280 -1.401082
C 3.113724 -1.122082 2.613744
C 1.671920 3.121588 -2.387279
C 0.811836 -1.683237 3.170459
C 3.074704 3.194338 -2.260588
C 2.185023 -1.720017 3.493809
C -1.423574 1.122447 0.241620
C -1.689241 -1.819442 -1.039972
C -3.755984 1.825575 0.310100
C -4.327367 1.056907 1.502991
C -2.812537 -3.707760 -2.118033
C -4.302032 -3.356195 -2.097599
H -0.151482 2.150059 -1.749882
H -0.696869 -1.035807 1.753969
H 4.822524 2.324457 -1.289545
H 4.186026 -1.151729 2.835946
H 1.138998 3.812843 -3.048647
H 0.075534 -2.160719 3.825211
H 3.651027 3.939079 -2.818140
H 2.534292 -2.212997 4.406555
H -0.811931 -0.425003 -2.334977
H -4.496177 1.963389 -0.493894
H -3.336704 2.800244 0.615746
H -3.573721 0.954965 2.301657
H -4.661322 0.050376 1.198325
H -5.194940 1.604401 1.915855
H -2.512525 -4.245599 -1.201687
H -2.535320 -4.293605 -3.008745
H -4.580687 -2.766701 -2.988076
H -4.555369 -2.780713 -1.191334
H -4.902825 -4.284755 -2.095656


