%chk=000236037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236037

0 1
S 0.821693 0.183658 0.509935
O 0.202082 -0.931558 -0.193562
O 0.407117 0.460419 1.874179
O -6.409900 -2.144964 0.650397
O -6.542034 -0.708577 -1.055552
N 0.541041 1.641596 -0.378963
C -2.004793 2.029776 -0.498910
C -0.630264 2.451657 0.047824
C -2.511462 0.704887 0.080401
C -3.988512 0.477089 -0.259761
C 2.534974 0.003861 0.423982
C -4.463230 -0.884369 0.260805
C 0.691912 1.492978 -1.847673
C 3.373916 0.905495 1.087153
C 3.086998 -1.063142 -0.294844
C 5.317391 -0.315874 0.299159
C 4.759316 0.750731 1.024955
C 4.470020 -1.224277 -0.360905
C -5.868528 -1.168817 -0.164276
C 6.797294 -0.494423 0.244628
H -2.728304 2.838444 -0.266957
H -1.978373 1.968634 -1.603842
H -0.651218 2.458716 1.166760
H -0.426626 3.503767 -0.262551
H -1.903061 -0.141176 -0.312883
H -2.365840 0.686679 1.180066
H -4.613472 1.283760 0.171904
H -4.145253 0.531653 -1.357234
H -4.375419 -0.940469 1.369144
H -3.799006 -1.699542 -0.111414
H 0.018287 0.736485 -2.289242
H 1.734988 1.215531 -2.079372
H 0.497843 2.454525 -2.352264
H 2.947568 1.734851 1.660875
H 2.427947 -1.778089 -0.803887
H 5.406704 1.454735 1.544227
H 4.893021 -2.057507 -0.918758
H 7.340570 0.457982 0.319101
H 7.142112 -1.125754 1.079500
H 7.130333 -0.981392 -0.682531
H -7.340031 -2.382778 0.399485


%chk=000236037-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236037

0 1
S 0.824672 0.119877 0.588617
O 0.210470 -1.250582 -0.074130
O 0.434859 0.565308 2.109457
O -6.420255 -2.353263 0.376252
O -6.720985 -0.450623 -0.916790
N 0.517056 1.674886 -0.487261
C -2.058259 2.135331 -0.417240
C -0.620967 2.492578 0.032885
C -2.586592 0.788548 0.125320
C -4.049815 0.523638 -0.291560
C 2.696027 -0.019380 0.450453
C -4.558413 -0.828875 0.241750
C 0.468013 1.287125 -1.917922
C 3.493397 0.897158 1.154960
C 3.221611 -1.068491 -0.318834
C 5.480673 -0.286484 0.292587
C 4.894405 0.753443 1.064774
C 4.627701 -1.189582 -0.393872
C -5.980934 -1.137309 -0.177923
C 6.988710 -0.446840 0.233856
H -2.716620 2.953000 -0.057360
H -2.131062 2.151880 -1.523734
H -0.548694 2.458393 1.136915
H -0.376580 3.529025 -0.278079
H -1.949237 -0.046477 -0.229408
H -2.501827 0.785863 1.231045
H -4.705504 1.335904 0.078293
H -4.138280 0.538086 -1.395308
H -4.510738 -0.866751 1.347493
H -3.912844 -1.659219 -0.106736
H -0.392071 0.645881 -2.195218
H 1.401830 0.764863 -2.188907
H 0.417304 2.223679 -2.503224
H 3.036206 1.686810 1.758861
H 2.549182 -1.772417 -0.820239
H 5.541024 1.456119 1.602961
H 5.064941 -1.999424 -0.988997
H 7.502502 0.530067 0.258681
H 7.354693 -1.031004 1.100298
H 7.306029 -0.979007 -0.679248
H -7.353826 -2.526535 0.075630


