%chk=000265307.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265307

0 1
S 1.199232 0.969151 -1.002675
O 0.184914 1.926264 -0.577842
O 1.364986 0.680911 -2.411561
O -3.186932 -2.832746 0.160046
O -1.283567 -2.509052 -1.083152
N 0.854599 -0.542471 -0.262276
N -1.200813 -3.353985 1.101472
C 0.148577 -0.527643 1.044731
C 0.574025 -1.734960 1.900641
C 0.251582 -3.101252 1.277168
C 2.705699 1.429619 -0.300507
C 2.753139 2.474548 0.629197
C 3.883602 0.771897 -0.670139
C 5.154073 2.192072 0.832567
C 3.968508 2.855516 1.196535
C 5.103649 1.147331 -0.106495
C -1.818679 -2.838903 -0.040524
C 6.459294 2.607119 1.423990
C -3.990765 -2.162126 -0.869396
C -4.008483 -0.690503 -0.568522
C -5.088849 -0.117342 0.116108
C -2.919405 0.107928 -0.949372
C -5.074740 1.247866 0.418457
C -2.898070 1.465810 -0.624123
C -3.978696 2.037528 0.055699
H 0.391435 0.408459 1.598563
H -0.959246 -0.519652 0.910328
H 1.670471 -1.685723 2.072597
H 0.103693 -1.646223 2.898988
H 0.485610 -1.295341 -0.879897
H 0.755823 -3.201495 0.284390
H 0.651148 -3.918193 1.920692
H 1.831781 3.001472 0.906773
H 3.854376 -0.036350 -1.408635
H -1.759218 -3.423986 1.952698
H 3.999158 3.671167 1.916097
H 6.016844 0.633534 -0.400348
H 6.944267 3.370185 0.793959
H 7.166343 1.770565 1.513295
H 6.350066 3.043048 2.426638
H -3.572914 -2.396015 -1.867499
H -4.966350 -2.663489 -0.733105
H -5.935764 -0.730365 0.416812
H -2.085705 -0.337221 -1.499453
H -5.917134 1.694727 0.942744
H -2.022530 2.073672 -0.888750
H -3.963937 3.097649 0.302386


%chk=000265307-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000265307

0 1
S 1.300415 0.645481 -1.092889
O 0.138300 1.756615 -0.757670
O 1.578112 0.179378 -2.625145
O -3.289015 -2.775002 0.157767
O -1.220255 -2.445096 -0.925048
N 1.073517 -0.925501 -0.141000
N -1.356400 -3.177563 1.295214
C 0.527353 -0.704217 1.229400
C 0.743754 -1.981130 2.075055
C 0.100054 -3.267930 1.495909
C 2.888504 1.304234 -0.322243
C 2.810844 2.465216 0.461288
C 4.094448 0.640307 -0.601179
C 5.256627 2.339705 0.760711
C 4.011407 2.975521 1.005204
C 5.279537 1.169434 -0.046246
C -1.894529 -2.770730 0.099190
C 6.544587 2.916552 1.319743
C -3.986359 -2.053685 -0.976625
C -4.130396 -0.582204 -0.659866
C -5.310420 -0.087511 -0.047312
C -3.068512 0.316872 -0.941852
C -5.425347 1.281825 0.281230
C -3.172648 1.682306 -0.597598
C -4.354380 2.167198 0.010740
H 1.085381 0.123746 1.704563
H -0.543019 -0.415050 1.213747
H 1.830825 -2.165212 2.170133
H 0.346110 -1.788572 3.091444
H 0.405457 -1.501134 -0.714211
H 0.558564 -3.506711 0.520870
H 0.305053 -4.115006 2.175142
H 1.843203 2.952727 0.620770
H 4.105372 -0.252689 -1.233607
H -2.001319 -3.362655 2.064256
H 3.979135 3.880514 1.622811
H 6.234954 0.670167 -0.245291
H 7.031260 3.579474 0.578373
H 7.269296 2.123101 1.573222
H 6.361188 3.517227 2.227193
H -3.396004 -2.229439 -1.891536
H -4.956530 -2.570735 -1.031379
H -6.136230 -0.775687 0.173272
H -2.156601 -0.050383 -1.424105
H -6.343383 1.657374 0.747532
H -2.325005 2.343823 -0.803222
H -4.441808 3.228050 0.272548


