%chk=000271042.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271042

0 1
S -5.701964 -1.271114 1.766922
O -5.685592 -0.897640 3.170702
O -6.183652 -2.570464 1.385437
N -6.800001 -0.045522 1.166337
N -0.472698 -0.022558 -0.751269
N -6.413141 -0.626658 -1.077230
N 0.626926 -0.224327 -0.176919
N 3.272441 1.099193 -2.575171
N 5.296431 -0.287382 0.346448
N 0.987771 1.164670 -2.917221
N 5.576651 1.118739 -2.394581
N 6.494442 -0.043997 0.048262
C -4.175907 -0.933351 1.066286
C -3.313689 -0.019840 1.688830
C -3.780506 -1.584229 -0.109669
C -1.681269 -0.390961 -0.051832
C -2.064513 0.256528 1.138541
C -2.533095 -1.318772 -0.676042
C -7.139673 0.122609 -0.179465
C -8.155151 1.027132 -0.588096
C 1.827303 0.144826 -0.813292
C 2.979436 -0.179073 -0.070126
C 4.266497 0.115915 -0.536372
C 2.017691 0.798393 -2.095354
C 4.381718 0.775037 -1.827462
C -8.422421 1.140805 -1.947924
C -6.706609 -0.490037 -2.395876
C -7.697374 0.377457 -2.873586
C 7.512785 -0.491077 0.972027
C 7.386864 -1.620609 1.799470
C 8.710286 0.249247 0.949237
C 8.463827 -2.007082 2.600188
C 9.774416 -0.148602 1.759670
C 9.655039 -1.274522 2.582736
H -3.615887 0.471009 2.622249
H -4.455046 -2.306691 -0.589935
H -7.331681 0.511759 1.848763
H -1.386689 0.957773 1.623311
H -2.221952 -1.823144 -1.589568
H -8.709871 1.606847 0.141612
H 2.861695 -0.677444 0.904729
H -9.199030 1.823913 -2.295360
H -6.111553 -1.109968 -3.077769
H -7.900869 0.453163 -3.936436
H 0.019797 0.990689 -2.672141
H 1.178594 1.618629 -3.799477
H 5.600277 1.569751 -3.298226
H 6.460352 0.924419 -1.934842
H 6.454911 -2.186457 1.814635
H 8.799269 1.124790 0.307870
H 8.372421 -2.882632 3.242255
H 10.702956 0.421027 1.750611
H 10.490737 -1.579667 3.210215


%chk=000271042-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271042

0 1
S -5.818590 -1.827812 0.937734
O -5.642443 -2.314726 2.482886
O -6.678290 -2.704400 -0.118053
N -6.574030 -0.140229 1.227516
N -0.286362 -0.859905 -1.383786
N -6.754809 0.387880 -1.062252
N 0.723926 -0.759171 -0.527841
N 3.637318 -0.306710 -2.915471
N 5.348247 -0.184142 0.478679
N 1.368934 -0.576034 -3.420527
N 5.911393 -0.039279 -2.436961
N 6.608702 -0.021837 0.108799
C -4.113541 -1.472434 0.234864
C -3.045750 -1.408066 1.149436
C -3.969774 -1.348369 -1.155562
C -1.558386 -1.064585 -0.768116
C -1.753164 -1.198482 0.637698
C -2.668395 -1.144899 -1.654069
C -7.213572 0.579656 0.211105
C -8.251634 1.506586 0.525917
C 1.997944 -0.571207 -1.063704
C 3.057647 -0.461383 -0.133008
C 4.392749 -0.278259 -0.543924
C 2.354578 -0.480781 -2.488440
C 4.637403 -0.208657 -1.993435
C -8.801545 2.270600 -0.519860
C -7.321209 1.123821 -2.059021
C -8.335699 2.081573 -1.844526
C 7.543930 0.069120 1.186442
C 7.188245 0.018407 2.564553
C 8.906230 0.220842 0.813380
C 8.192345 0.118806 3.545285
C 9.905637 0.319458 1.803578
C 9.552874 0.269063 3.172790
H -3.230182 -1.539726 2.220345
H -4.846945 -1.392186 -1.806104
H -6.961009 -0.129996 2.180819
H -0.883950 -1.140325 1.297755
H -2.494154 -1.042256 -2.729708
H -8.605541 1.620680 1.555652
H 2.833705 -0.522390 0.936051
H -9.594494 2.995006 -0.305829
H -6.936901 0.929976 -3.066929
H -8.749298 2.648303 -2.683032
H 0.405338 -0.712256 -3.038838
H 1.618899 -0.517686 -4.407989
H 6.079729 0.009166 -3.442123
H 6.637845 0.028516 -1.686957
H 6.134363 -0.098600 2.832497
H 9.160364 0.258016 -0.251628
H 7.920706 0.080382 4.606220
H 10.954630 0.435367 1.510330
H 10.327688 0.346062 3.943464


