%chk=000186402.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186402

0 1
O -2.643847 1.573184 -0.000678
O -1.282467 -2.971669 0.000434
O -4.734274 2.262437 -0.000879
N 2.626625 -1.825416 0.000050
N 1.346547 -2.189564 0.000186
C 0.663569 0.177007 -0.000018
C 2.079319 0.547928 0.000121
C 0.394952 -1.269872 0.000161
C 3.061165 -0.473009 0.000046
C -2.060281 -0.744306 0.000062
C -0.357462 1.077792 -0.000319
C -1.717447 0.604533 -0.000318
C -1.031373 -1.786924 0.000252
C 2.520402 1.891485 0.000317
C 4.441094 -0.168927 -0.000013
C -3.443959 -1.107097 0.000080
C 3.873644 2.192654 0.000317
C 4.834219 1.160668 0.000115
C -4.408980 -0.147868 -0.000223
C -4.097798 1.251418 -0.000248
H -0.203368 2.156774 -0.000535
H 1.778306 2.694773 0.000478
H 3.304535 -2.596661 0.000093
H 5.182654 -0.965578 -0.000185
H -3.692161 -2.176488 0.000318
H 4.204283 3.231736 0.000483
H 5.895886 1.416347 0.000037
H -5.472582 -0.392861 -0.000434


%chk=000186402-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186402

0 1
O -2.696003 1.599008 -0.000526
O -1.297871 -3.036539 0.000029
O -4.921656 2.250455 0.000214
N 2.641803 -1.803344 0.000226
N 1.351032 -2.220271 0.000145
C 0.679962 0.172411 -0.000044
C 2.096068 0.562185 0.000045
C 0.393057 -1.271211 0.000000
C 3.085052 -0.471806 0.000183
C -2.070440 -0.755343 -0.000239
C -0.374714 1.082490 -0.000172
C -1.722960 0.612330 -0.000274
C -1.023600 -1.791563 -0.000020
C 2.556636 1.908235 0.000002
C 4.473720 -0.181353 0.000273
C -3.461582 -1.109464 -0.000189
C 3.929640 2.204582 0.000091
C 4.892555 1.157923 0.000228
C -4.454421 -0.145746 -0.000289
C -4.153378 1.274934 -0.001037
H -0.219489 2.163580 -0.000221
H 1.833374 2.728670 -0.000106
H 3.318619 -2.568994 0.000332
H 5.206008 -0.997193 0.000375
H -3.707228 -2.176627 0.000157
H 4.261189 3.247609 0.000055
H 5.961007 1.395511 0.000298
H -5.515177 -0.407972 0.000165


