%chk=000270122.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270122

0 1
S -3.536916 1.091706 0.102259
O 4.516048 0.461347 -0.477550
O -3.805799 1.076124 1.530162
O -4.089998 2.141797 -0.735238
O 3.142247 -0.026204 1.289403
N -4.129297 -0.364588 -0.591219
N 2.324480 0.769841 -0.777574
C -4.407902 -1.534095 0.289704
C -5.648229 -1.336824 1.189136
C -4.559636 -2.797664 -0.587926
C -6.960341 -1.362523 0.400209
C -5.884443 -2.832991 -1.360186
C -7.088640 -2.648672 -0.427236
C 5.716446 0.056752 0.305547
C 6.838411 0.772665 -0.447340
C 5.815810 -1.467290 0.250222
C 8.200536 0.299119 0.075479
C 7.187229 -1.921978 0.764299
C 8.327853 -1.229125 0.005628
C -1.833647 0.995127 -0.135662
C 3.299819 0.355221 0.151574
C -1.278702 1.342862 -1.372801
C -1.000654 0.579491 0.910561
C 0.927699 0.836033 -0.519805
C 0.096201 1.267296 -1.578975
C 0.376933 0.493167 0.729590
H -3.510464 -1.669519 0.952471
H -5.557379 -0.384700 1.756788
H -5.659355 -2.132514 1.958355
H -3.710844 -2.861857 -1.296092
H -4.485748 -3.688487 0.064973
H -7.023504 -0.477614 -0.261560
H -7.815517 -1.275280 1.097430
H -5.972222 -3.793244 -1.902922
H -5.888593 -2.046025 -2.138696
H -8.023453 -2.626574 -1.017462
H -7.174447 -3.520461 0.249481
H 5.580217 0.433174 1.341282
H 6.747899 0.569538 -1.533783
H 6.735307 1.868736 -0.339130
H 5.004359 -1.922300 0.852970
H 5.657281 -1.817801 -0.788529
H 8.343735 0.641856 1.118983
H 9.008633 0.773216 -0.513717
H 7.276995 -3.020297 0.661998
H 7.271343 -1.710681 1.848482
H 9.302931 -1.544597 0.422234
H 8.326944 -1.556864 -1.052075
H -4.849127 -0.259000 -1.320979
H -1.927260 1.687176 -2.187321
H -1.433267 0.327771 1.887805
H 2.656685 1.056955 -1.705621
H 0.514540 1.541655 -2.544034
H 1.022502 0.166446 1.552908


%chk=000270122-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270122

0 1
S -3.672733 1.276650 0.175762
O 4.530366 0.430877 -0.597460
O -3.900256 1.286603 1.795996
O -4.253004 2.460806 -0.783224
O 3.206588 0.067937 1.322549
N -4.325670 -0.290060 -0.618674
N 2.309339 0.770275 -0.759555
C -4.507966 -1.446186 0.318956
C -5.792795 -1.365170 1.189057
C -4.496878 -2.740734 -0.540390
C -7.080336 -1.525859 0.344472
C -5.787385 -2.898360 -1.380499
C -7.052071 -2.829453 -0.489932
C 5.760472 -0.005193 0.148799
C 6.942416 0.717719 -0.509051
C 5.893809 -1.536378 0.075744
C 8.273135 0.265187 0.145428
C 7.224096 -1.987811 0.731002
C 8.437011 -1.273179 0.088171
C -1.826609 1.101312 -0.097650
C 3.325399 0.388893 0.114039
C -1.312108 1.364715 -1.378620
C -1.017897 0.747896 0.993405
C 0.925267 0.874292 -0.487632
C 0.075982 1.249948 -1.568265
C 0.373405 0.629094 0.800271
H -3.619681 -1.451951 0.979846
H -5.793343 -0.414726 1.752810
H -5.748623 -2.184398 1.935325
H -3.603701 -2.734892 -1.190605
H -4.404707 -3.602366 0.152062
H -7.205012 -0.655701 -0.335943
H -7.962720 -1.513414 1.011923
H -5.757025 -3.858961 -1.929151
H -5.830885 -2.100491 -2.150019
H -7.963939 -2.906834 -1.112872
H -7.058198 -3.699798 0.198776
H 5.635965 0.310697 1.202845
H 6.955045 0.473921 -1.589677
H 6.811419 1.811763 -0.418170
H 5.031773 -2.011870 0.577888
H 5.879716 -1.842655 -0.989164
H 8.293949 0.595199 1.204453
H 9.121473 0.763781 -0.360056
H 7.327448 -3.085445 0.639858
H 7.196073 -1.759669 1.816315
H 9.371516 -1.574792 0.598720
H 8.530705 -1.591626 -0.970424
H -5.214517 0.027106 -1.055121
H -1.974841 1.664452 -2.195866
H -1.467494 0.590795 1.979343
H 2.624519 0.988852 -1.707479
H 0.504738 1.450655 -2.557339
H 1.032469 0.353852 1.625521


