%chk=000201332.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201332

0 1
S -0.213659 1.591558 -0.571296
O -1.567416 -2.112813 0.207316
N -5.593039 1.758250 0.230721
C 2.730151 -2.648533 0.381244
C 3.653949 -1.643548 1.083208
C 1.445936 -2.002146 -0.146568
C 4.173183 -0.547056 0.144082
C 0.430871 -3.045489 -0.628311
C 5.344307 0.221458 0.771813
C -0.880346 -2.391742 -1.057487
C 5.913792 1.267384 -0.182569
C -2.542541 -1.122425 0.113972
C -2.212941 0.206779 0.456787
C -0.814265 0.572030 0.816637
C -3.851392 -1.495834 -0.214161
C -3.231905 1.163655 0.465564
C -4.553456 0.797050 0.134115
C -4.861525 -0.537846 -0.207755
C 1.459750 2.070171 -0.021838
C 1.892238 3.212238 -0.934506
C 3.238169 3.789482 -0.500818
H 3.271204 -3.140858 -0.449809
H 2.476327 -3.458440 1.094320
H 3.127171 -1.183351 1.941152
H 4.509088 -2.196303 1.521561
H 1.684909 -1.300121 -0.968847
H 0.968590 -1.384235 0.651718
H 3.347828 0.159715 -0.106592
H 4.488688 -0.990830 -0.819436
H 0.217838 -3.768892 0.187843
H 0.846067 -3.636514 -1.465928
H 6.144655 -0.487165 1.064274
H 5.015801 0.708024 1.710723
H -0.735438 -1.454076 -1.619238
H -1.530202 -3.077282 -1.625790
H 6.757003 1.800942 0.268996
H 6.271909 0.814052 -1.113573
H 5.153450 2.020675 -0.455647
H -0.172551 -0.339531 0.936768
H -0.767391 1.132963 1.767971
H -4.066132 -2.534702 -0.459963
H -3.001832 2.193444 0.733585
H -5.881968 -0.822611 -0.448594
H 1.443269 2.383224 1.036548
H 2.155716 1.202328 -0.094623
H 1.129784 4.020405 -0.933254
H 1.958295 2.862431 -1.985829
H 4.031842 3.020159 -0.504159
H 3.558435 4.592285 -1.174197
H 3.194224 4.207693 0.510959
H -5.307881 2.724337 0.150291
H -6.421356 1.567512 -0.314881


%chk=000201332-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201332

0 1
S -0.531448 1.939202 -0.971041
O -1.367821 -1.735948 0.211048
N -6.080102 1.393181 0.558374
C 2.904900 -2.805647 -0.117988
C 3.971735 -2.188892 0.819403
C 1.583555 -2.006133 -0.190268
C 4.476650 -0.791982 0.387811
C 0.491638 -2.733360 -1.006556
C 5.631291 -0.270030 1.273592
C -0.799488 -1.924904 -1.155053
C 6.128004 1.132517 0.861820
C -2.539909 -0.932932 0.253883
C -2.444554 0.466038 0.499392
C -1.099327 1.123890 0.672702
C -3.808091 -1.541378 0.124923
C -3.634077 1.224646 0.600990
C -4.915465 0.624680 0.458555
C -4.987699 -0.779156 0.223257
C 1.187758 2.513952 -0.409766
C 1.886841 3.266433 -1.555891
C 3.291277 3.765196 -1.144997
H 3.329425 -2.907216 -1.139509
H 2.677071 -3.835348 0.228140
H 3.559142 -2.124505 1.848244
H 4.841923 -2.875731 0.876162
H 1.765832 -1.010259 -0.643674
H 1.201819 -1.827294 0.833932
H 3.641307 -0.062034 0.417816
H 4.815941 -0.834768 -0.669012
H 0.254504 -3.704905 -0.529435
H 0.872962 -2.957276 -2.024747
H 6.474586 -0.989631 1.229718
H 5.296770 -0.249749 2.331139
H -0.605359 -0.928821 -1.604235
H -1.543638 -2.463723 -1.778161
H 6.958647 1.474653 1.506442
H 6.489353 1.134047 -0.184282
H 5.314337 1.879156 0.937013
H -0.335198 0.378019 0.943068
H -1.133309 1.928952 1.425942
H -3.857896 -2.623761 -0.037011
H -3.559787 2.303443 0.789827
H -5.965608 -1.266306 0.124871
H 1.057812 3.169854 0.470734
H 1.768755 1.622334 -0.108191
H 1.260251 4.125270 -1.865405
H 1.970160 2.599308 -2.435714
H 3.947601 2.921674 -0.860015
H 3.776603 4.304223 -1.978854
H 3.233461 4.456533 -0.283313
H -6.030854 2.396167 0.707062
H -6.995075 0.966216 0.453759


