%chk=000229618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229618

0 1
O 5.551764 -0.158250 -0.794863
N -5.129890 -1.753447 0.618671
N -0.745734 -0.406781 2.594800
C 1.468963 -0.002655 -0.060876
C -2.333200 0.295375 -0.718507
C 0.005406 0.022607 0.148643
C -0.866112 0.257458 -0.850695
C 2.018332 -0.798752 -1.086903
C 2.314784 0.762968 0.754570
C -3.018748 -0.736319 -0.070061
C -3.034796 1.380313 -1.271254
C -4.425126 -0.676481 0.035002
C 4.221077 -0.040812 -0.471295
C 3.389257 -0.825041 -1.300612
C 3.697467 0.754783 0.556107
C -4.427214 1.429764 -1.160015
C -5.131841 0.417694 -0.511175
C -0.418840 -0.212636 1.502639
C 6.511853 0.585017 -0.004356
H -0.495826 0.458451 -1.863875
H 1.360821 -1.404396 -1.712593
H 1.892276 1.376127 1.553043
H -2.475565 -1.584006 0.339782
H -2.499897 2.180988 -1.773609
H 3.836136 -1.433477 -2.084204
H 4.338253 1.354747 1.193667
H -4.970781 2.274064 -1.585862
H -6.214063 0.465554 -0.437800
H -4.609757 -2.342097 1.254314
H -6.060431 -1.555038 0.955924
H 6.478407 0.259634 1.039353
H 6.336230 1.659711 -0.105263
H 7.460395 0.295332 -0.476096


%chk=000229618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229618

0 1
O 5.650816 0.439435 -0.968447
N -5.304038 -0.844849 1.449603
N -0.512309 -0.978516 2.607966
C 1.506075 0.023191 -0.100820
C -2.398900 0.165445 -0.688088
C 0.046174 -0.101364 0.182550
C -0.934869 0.233630 -0.737984
C 2.010581 0.139339 -1.430940
C 2.451175 0.024488 0.959751
C -3.157414 -0.330753 0.407611
C -3.093827 0.638063 -1.846177
C -4.576944 -0.356928 0.364395
C 4.306497 0.296506 -0.604125
C 3.382601 0.278215 -1.681658
C 3.834907 0.162008 0.724348
C -4.501285 0.612099 -1.890066
C -5.248744 0.121806 -0.800993
C -0.286129 -0.580381 1.500635
C 6.647931 0.453153 0.106288
H -0.559296 0.638153 -1.687561
H 1.329517 0.093328 -2.287120
H 2.101592 -0.075475 1.993396
H -2.656578 -0.700786 1.305574
H -2.523133 1.022822 -2.699234
H 3.768260 0.359190 -2.702378
H 4.523760 0.162225 1.574001
H -5.025025 0.977103 -2.780583
H -6.344708 0.106447 -0.844077
H -4.829941 -1.180676 2.283165
H -6.318766 -0.874243 1.427536
H 6.640499 -0.498001 0.673058
H 6.479610 1.300579 0.798788
H 7.615509 0.575145 -0.401814


