%chk=000229212.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229212

0 1
S -3.649772 -1.832622 0.329592
O -4.633050 -2.159544 1.344780
O -3.484699 -2.694182 -0.811449
O 5.084186 1.862251 2.361770
O 3.817494 0.211797 2.930548
N -2.174883 -1.912813 1.290978
N -4.138705 3.803428 -1.293966
N -1.061040 -1.508884 0.651553
N 4.486006 0.824905 2.114785
C -3.780120 -0.205936 -0.135099
C -3.045257 0.283112 -1.228983
C -4.628505 0.663364 0.572985
C -4.002914 2.483094 -0.897571
C -3.144015 1.610380 -1.617084
C -4.748865 1.994606 0.209280
C 3.673244 -0.610505 0.194914
C 4.609964 0.291653 0.742479
C 3.884022 -1.065143 -1.123109
C 2.507609 -1.084573 0.949230
C 5.712560 0.736735 -0.014231
C 4.981608 -0.634291 -1.863609
C 5.899184 0.271912 -1.310923
C 1.265546 -1.109054 0.440454
C 0.118803 -1.593896 1.215848
H -2.383662 -0.394866 -1.783312
H -5.206750 0.279578 1.424492
H -2.573920 1.976149 -2.465652
H -5.410746 2.655654 0.760810
H -2.151049 -2.350787 2.223829
H 3.177519 -1.774094 -1.558489
H 2.720555 -1.405678 1.978551
H 6.414194 1.452147 0.430786
H 5.130588 -1.002511 -2.880559
H 6.754138 0.609472 -1.895878
H 1.046515 -0.760243 -0.574586
H -3.547730 4.192556 -2.006779
H -4.660752 4.458579 -0.739766
H 0.330001 -1.993251 2.215579


%chk=000229212-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229212

0 1
S -3.522399 -1.708794 0.391309
O -4.537313 -2.240843 1.546885
O -3.058267 -2.629668 -0.863567
O 6.618585 0.317730 2.839547
O 4.680585 -0.806354 3.203031
N -1.976356 -1.258680 1.489647
N -5.315907 3.665196 -1.691710
N -0.853548 -1.002136 0.794975
N 5.537444 -0.248900 2.407587
C -4.060330 -0.055471 -0.241316
C -3.620515 0.351181 -1.514968
C -4.904231 0.730273 0.566421
C -4.899641 2.431920 -1.211308
C -4.045292 1.598820 -1.998888
C -5.326278 1.975714 0.075536
C 4.019488 -0.532416 0.347715
C 5.302784 -0.263506 0.940619
C 3.984634 -0.490991 -1.084280
C 2.794947 -0.826911 1.101472
C 6.447781 0.030357 0.157605
C 5.115837 -0.207560 -1.863899
C 6.362989 0.056256 -1.242446
C 1.517497 -0.771436 0.581606
C 0.349427 -1.111003 1.355851
H -2.976873 -0.303202 -2.110731
H -5.234570 0.363823 1.543587
H -3.718452 1.936971 -2.988670
H -5.989106 2.602416 0.682759
H -1.989953 -1.895742 2.316557
H 3.041420 -0.720088 -1.588616
H 2.921007 -1.097628 2.152104
H 7.387629 0.236579 0.675261
H 5.034060 -0.202523 -2.956079
H 7.252529 0.270392 -1.842630
H 1.314072 -0.451514 -0.447899
H -5.020866 3.997464 -2.605682
H -5.926188 4.262598 -1.140803
H 0.480673 -1.433824 2.405614


