%chk=000261972.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261972

0 1
O 2.071128 1.886565 0.370000
O -2.071129 -1.884991 -0.382380
O -0.661056 2.578623 0.397362
O 0.661006 -2.577058 -0.409852
N 2.652154 -0.850218 -0.353045
N -2.652114 0.851579 0.341723
C 1.407291 -0.347511 -0.166050
C -1.407278 0.349010 0.154099
C 3.900582 -0.054572 -0.284654
C -3.900479 0.055828 0.273212
C 1.063106 0.962832 0.111112
C -1.063131 -0.961284 -0.123308
C -0.298561 1.424939 0.243578
C 0.298542 -1.423402 -0.255840
C 5.089948 -0.960573 0.063651
C -5.090229 0.962005 -0.073266
C 6.380763 -0.150355 0.124735
C -6.381003 0.151696 -0.134019
C 2.139025 2.975690 -0.594483
C -2.139219 -2.974150 0.582061
H 3.785787 0.762716 0.476681
H 4.060385 0.457049 -1.261430
H -4.059535 -0.456931 1.249525
H -3.786038 -0.760609 -0.489078
H 2.743767 -1.860230 -0.520310
H -2.743784 1.861624 0.508723
H 5.193503 -1.773583 -0.682854
H 4.914964 -1.460927 1.038432
H -4.916131 1.463282 -1.047731
H -5.193258 1.774314 0.674081
H 6.610313 0.327242 -0.835184
H 6.328603 0.641532 0.882526
H 7.234319 -0.789465 0.382665
H -6.329433 -0.639400 -0.892675
H -6.609628 -0.326925 0.825612
H -7.234870 0.790972 -0.390506
H 1.218769 3.570145 -0.537390
H 2.302926 2.585675 -1.599329
H 2.997267 3.548570 -0.231641
H -1.218959 -3.568609 0.525141
H -2.997379 -3.547031 0.219023
H -2.303332 -2.584163 1.586883


%chk=000261972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000261972

0 1
O 2.020690 2.056571 0.256383
O -2.020806 -2.054715 -0.267855
O -0.806708 2.573279 0.511204
O 0.806850 -2.571418 -0.523220
N 2.668916 -0.763328 -0.286403
N -2.668894 0.764926 0.274869
C 1.411805 -0.264358 -0.149642
C -1.411752 0.266125 0.137870
C 3.969932 -0.073877 -0.282495
C -3.969746 0.075172 0.271395
C 1.025794 1.064802 0.078144
C -1.025756 -1.063026 -0.089909
C -0.366060 1.387560 0.251458
C 0.366093 -1.385713 -0.263592
C 5.087951 -1.033966 0.174580
C -5.088104 1.034921 -0.185556
C 6.473871 -0.357944 0.118177
C -6.473847 0.358570 -0.128737
C 1.876463 3.280075 -0.566582
C -1.877062 -3.277983 0.555566
H 3.903792 0.808224 0.372178
H 4.199869 0.298409 -1.304461
H -4.199337 -0.297022 1.293471
H -3.903562 -0.807020 -0.383162
H 2.651714 -1.782509 -0.475465
H -2.651828 1.784137 0.463806
H 5.089835 -1.937261 -0.469938
H 4.873436 -1.376322 1.205166
H -4.873915 1.377191 -1.216238
H -5.090056 1.938302 0.458842
H 6.718696 -0.033462 -0.910613
H 6.508858 0.533841 0.771094
H 7.266627 -1.051078 0.450890
H -6.508774 -0.533303 -0.781539
H -6.718344 0.034150 0.900150
H -7.266850 1.051471 -0.461342
H 0.954284 3.816555 -0.291023
H 1.863182 3.024549 -1.644484
H 2.765447 3.886669 -0.333503
H -0.955045 -3.814882 0.280316
H -2.766237 -3.884349 0.322621
H -1.863817 -3.022063 1.633376


