%chk=000259081.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259081

0 1
S 2.532295 1.020517 0.466067
N 0.005028 0.284765 0.040534
C -1.075188 -0.561517 0.646499
C -2.349497 0.247104 0.990291
C -2.844023 1.090291 -0.190985
C -0.481770 1.130787 -1.086890
C -1.721814 1.975690 -0.746686
C -1.387397 -1.736174 -0.309952
C 0.784080 1.040017 1.037772
C -0.217121 -2.711053 -0.409090
C 2.870620 -0.751923 0.177694
C 4.118336 -0.826927 -0.673995
H -0.671341 -0.994601 1.600474
H -2.135447 0.908514 1.851319
H -3.149534 -0.436358 1.327686
H -3.698826 1.716621 0.126104
H -3.230485 0.428214 -0.989855
H -0.711438 0.438795 -1.928694
H 0.349808 1.780177 -1.436707
H -2.068679 2.512266 -1.648470
H -1.458515 2.758935 -0.011497
H -1.638333 -1.348781 -1.316981
H -2.291711 -2.265691 0.045022
H 0.729330 0.580820 2.044753
H 0.517960 2.112589 1.139418
H 0.722523 -2.171667 -0.635167
H -0.061189 -3.257611 0.526342
H -0.376027 -3.446264 -1.203968
H 3.001339 -1.261708 1.147904
H 1.992888 -1.221985 -0.329141
H 3.984989 -0.328358 -1.644627
H 4.984239 -0.358145 -0.186260
H 4.390799 -1.870341 -0.881214


%chk=000259081-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259081

0 1
S 2.574732 1.197530 0.496687
N -0.056214 0.218136 0.094086
C -1.178561 -0.605332 0.649062
C -2.416841 0.287683 0.977175
C -2.850304 1.148496 -0.236892
C -0.447880 1.044662 -1.077313
C -1.656249 1.972960 -0.779282
C -1.545000 -1.789787 -0.285891
C 0.765104 0.913182 1.075012
C -0.381288 -2.773838 -0.514642
C 3.106139 -0.611451 0.297470
C 4.255783 -0.720969 -0.714940
H -0.805603 -1.047280 1.596391
H -2.156169 0.961324 1.819179
H -3.257740 -0.347104 1.319812
H -3.681114 1.819171 0.055103
H -3.242390 0.495073 -1.042566
H -0.701291 0.370731 -1.918568
H 0.440959 1.625306 -1.384974
H -1.943048 2.519796 -1.698519
H -1.363097 2.735994 -0.029664
H -1.904731 -1.412899 -1.262607
H -2.402545 -2.321640 0.173470
H 0.803319 0.323033 2.006211
H 0.446042 1.948606 1.323556
H 0.471634 -2.256873 -0.987618
H -0.027611 -3.202117 0.442884
H -0.687383 -3.611276 -1.168316
H 3.401989 -0.997391 1.288758
H 2.205360 -1.144518 -0.052171
H 3.941793 -0.349324 -1.706177
H 5.137136 -0.136534 -0.394064
H 4.570970 -1.776351 -0.822953


