%chk=000179724.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179724

0 1
S 2.856707 0.000014 -1.495162
O -0.753792 -2.094213 1.300358
N -0.036339 1.405078 0.796862
N 0.866193 -1.109466 -0.032186
N 0.969796 1.307641 -0.138423
N 1.525965 -2.347019 -0.205014
C -2.252919 0.353829 -0.052087
C -1.008778 0.270954 0.909344
C -2.904826 1.741139 0.096578
C -1.830563 0.134332 -1.509474
C -3.267105 -0.720227 0.369554
C -0.311003 -1.099372 0.782269
C 1.448528 0.135550 -0.443111
C 3.938376 1.315672 -0.905409
H -1.392143 0.326232 1.970233
H -3.158606 1.966653 1.137665
H -3.840507 1.790531 -0.474887
H -2.267927 2.546621 -0.283843
H -1.403650 -0.863515 -1.667559
H -1.086544 0.865809 -1.843335
H -2.688289 0.219615 -2.186874
H -2.834085 -1.731624 0.347785
H -4.136185 -0.731924 -0.296393
H -3.637838 -0.561884 1.387792
H -0.523797 2.311491 0.671570
H 1.639610 -2.544334 -1.206276
H 2.460667 -2.325551 0.220105
H 4.809725 1.361678 -1.572381
H 4.285735 1.135528 0.119245
H 3.433496 2.293660 -0.924944


%chk=000179724-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179724

0 1
S 3.044007 -0.119682 -1.271587
O -0.777147 -2.371189 1.168080
N 0.068725 1.126817 1.159598
N 0.987810 -1.199708 0.209212
N 1.159735 1.189358 0.263024
N 1.683393 -2.401993 -0.105794
C -2.104262 0.363249 -0.079448
C -0.982982 0.091054 1.013408
C -2.631945 1.809541 0.124290
C -1.557988 0.214652 -1.523129
C -3.270396 -0.635735 0.149482
C -0.274483 -1.260144 0.833841
C 1.596355 0.031078 -0.170907
C 3.413559 1.720211 -1.452425
H -1.507610 0.028442 1.986678
H -2.946133 1.984702 1.172050
H -3.514796 1.978034 -0.518933
H -1.876380 2.568779 -0.150503
H -1.217744 -0.817485 -1.726514
H -0.714111 0.901503 -1.711854
H -2.356599 0.447495 -2.252029
H -2.929888 -1.682677 0.079386
H -4.060591 -0.471514 -0.606937
H -3.723363 -0.499467 1.150118
H -0.254248 2.064884 1.400663
H 1.032389 -3.082198 -0.521207
H 2.137743 -2.789045 0.733795
H 4.292688 1.775225 -2.113568
H 3.633277 2.154407 -0.467033
H 2.550888 2.234307 -1.899755


