%chk=000295019.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295019

0 1
O 6.264081 0.645397 0.000646
O -0.098015 1.240027 0.000148
N -1.467758 -0.647299 -0.000926
N 0.882659 -0.864674 -0.000878
C -3.911253 -0.840406 0.000429
C -2.754655 -0.011278 -0.000502
C -5.177612 -0.225345 0.000650
C -2.874191 1.386186 -0.001116
C -5.285192 1.175744 0.000013
C -3.775100 -2.332006 0.001187
C -4.140760 1.970026 -0.000845
C -6.437772 -1.034373 0.001578
C 2.261292 -0.463824 -0.000558
C -0.219410 0.029210 -0.000637
C 3.224223 -1.488041 -0.001784
C 2.661744 0.890846 0.001007
C 4.967532 0.171636 0.000113
C 4.587033 -1.173015 -0.001445
C 4.010541 1.210097 0.001340
C 7.334998 -0.327201 -0.000529
H -1.983964 2.024836 -0.001777
H -6.266968 1.643195 0.000200
H -3.245205 -2.687153 -0.893761
H -3.244049 -2.686122 0.895863
H -4.744316 -2.848613 0.002119
H -1.476738 -1.667366 -0.001116
H -4.229840 3.056463 -0.001316
H -6.499911 -1.678937 -0.886599
H -6.499310 -1.677808 0.890616
H -7.339028 -0.406667 0.001483
H 0.721579 -1.870554 -0.001665
H 2.926767 -2.534610 -0.003012
H 1.910140 1.691121 0.001929
H 5.321000 -1.972226 -0.002397
H 4.346862 2.246365 0.002530
H 8.223019 0.318749 0.000209
H 7.295964 -0.936271 -0.907938
H 7.296012 -0.938411 0.905440


%chk=000295019-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295019

0 1
O 6.398642 0.509025 0.001665
O -0.124244 1.508051 -0.002395
N -1.476282 -0.434536 -0.003149
N 0.844777 -0.640744 -0.003610
C -3.885274 -0.808325 0.000047
C -2.790759 0.117681 -0.001329
C -5.217508 -0.305567 0.001804
C -3.021789 1.517584 -0.000924
C -5.435055 1.095889 0.002184
C -3.604246 -2.305294 -0.000385
C -4.346816 1.992870 0.000836
C -6.420974 -1.238394 0.003322
C 2.234244 -0.319770 -0.002255
C -0.244802 0.248330 -0.004363
C 3.153672 -1.398717 -0.001697
C 2.735453 1.012489 -0.001465
C 5.037351 0.154549 0.000373
C 4.547107 -1.173710 -0.000406
C 4.122779 1.236156 -0.000164
C 7.375375 -0.579954 0.002163
H -2.170425 2.199081 -0.001977
H -6.462200 1.478181 0.003548
H -3.033480 -2.620806 -0.898802
H -3.030912 -2.620833 0.896384
H -4.534238 -2.892093 0.000931
H -1.443212 -1.454727 -0.003247
H -4.527217 3.073581 0.001148
H -6.439530 -1.894804 -0.887664
H -6.437256 -1.894825 0.894338
H -7.358454 -0.657287 0.004524
H 0.644143 -1.642928 -0.003838
H 2.784069 -2.433059 -0.002293
H 2.033581 1.847465 -0.001927
H 5.225073 -2.032062 -0.000032
H 4.520242 2.255717 0.000441
H 8.358296 -0.086178 0.003109
H 7.277872 -1.211911 -0.902866
H 7.276396 -1.212426 0.906673


