%chk=000229259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229259

0 1
O -1.327740 -2.253306 -1.214446
O 4.079087 -0.440043 -0.047606
O -3.386221 -2.978372 -0.635749
O 2.165509 -1.633722 0.025159
N -2.377887 1.458216 0.377129
N 0.393035 2.342873 0.717769
C -1.743109 0.261537 0.041042
C -2.761597 -0.674099 -0.278207
C -4.024577 -0.025124 -0.123770
C -3.765290 1.299127 0.277316
C 0.634182 0.960428 0.366369
C -0.317685 0.052442 0.061598
C 2.109506 0.746150 0.402867
C 2.693526 1.932996 0.749308
C 1.564918 2.910823 0.938718
C -5.352258 -0.629429 -0.347081
C -4.700039 2.402412 0.577785
C -2.591464 -2.062497 -0.686557
C 4.109909 2.280116 0.924545
C 2.714014 -0.555903 0.122044
C 1.760330 4.323932 1.324647
C -0.911919 -3.614130 -1.552722
C 4.836164 -1.665518 -0.309634
C -0.017697 -4.110347 -0.435815
C 5.058330 -2.417127 0.985837
H -1.895539 2.307502 0.650825
H -0.002928 -0.985244 -0.207563
H -6.044669 -0.417847 0.478544
H -5.811508 -0.263354 -1.276269
H -5.282703 -1.731525 -0.433639
H -4.762308 2.597663 1.659528
H -4.411375 3.341259 0.083342
H -5.718581 2.160829 0.234934
H 4.764086 1.389168 0.853846
H 4.450299 2.980472 0.144708
H 4.301599 2.754754 1.898101
H 0.808044 4.879254 1.352004
H 2.422659 4.845547 0.616889
H 2.212902 4.405897 2.325057
H -1.804880 -4.246753 -1.708546
H -0.372352 -3.457062 -2.503399
H 4.289466 -2.264020 -1.060655
H 5.764104 -1.246572 -0.739029
H -0.578638 -4.262925 0.494542
H 0.779246 -3.378911 -0.211306
H 0.465584 -5.057228 -0.696928
H 5.742838 -3.262289 0.847437
H 5.478205 -1.768633 1.764772
H 4.111621 -2.821017 1.376761


%chk=000229259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229259

0 1
O -1.485300 -2.641777 -0.715104
O 4.250083 -0.292270 0.155864
O -3.745744 -2.763648 -1.266220
O 2.351931 -1.539285 -0.385082
N -2.215474 1.383500 0.339411
N 0.290914 2.197152 0.747158
C -1.689270 0.137705 -0.017117
C -2.812786 -0.696383 -0.365863
C -4.001468 0.089688 -0.208174
C -3.586830 1.381935 0.237080
C 0.661323 0.885288 0.344344
C -0.284084 -0.084381 -0.011446
C 2.121202 0.763864 0.378711
C 2.619211 2.014362 0.807048
C 1.443279 2.859148 1.019174
C -5.433741 -0.320012 -0.437223
C -4.425680 2.576454 0.581879
C -2.770588 -2.097094 -0.824537
C 4.039179 2.460486 1.021723
C 2.857607 -0.453236 0.016527
C 1.448360 4.289323 1.479026
C -1.296411 -4.039359 -1.203431
C 5.081926 -1.488497 -0.171727
C 0.100510 -4.466364 -0.758966
C 5.202000 -2.418332 1.039909
H -1.520113 2.127340 0.617012
H 0.074826 -1.073097 -0.301873
H -5.993212 -0.379201 0.516730
H -5.962253 0.411808 -1.077813
H -5.478193 -1.306656 -0.921591
H -4.719180 2.571877 1.650010
H -3.885816 3.520151 0.389153
H -5.356288 2.582754 -0.010699
H 4.540563 1.843842 1.789777
H 4.639565 2.339203 0.102279
H 4.082151 3.517293 1.335805
H 0.415846 4.667171 1.549290
H 2.011115 4.938239 0.780904
H 1.927162 4.394625 2.471316
H -2.096721 -4.672595 -0.780312
H -1.406101 -4.033207 -2.303905
H 4.626933 -2.010738 -1.031547
H 6.054889 -1.057462 -0.458931
H 0.165250 -4.510484 0.341848
H 0.866080 -3.756170 -1.115322
H 0.328895 -5.469865 -1.162969
H 5.888560 -3.253414 0.805716
H 5.603187 -1.876285 1.913905
H 4.218902 -2.842999 1.302755


